N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide

C55H60N6O7 — CID 162238892

IUPACN-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)[C@@H](C)N1CCOCC1.COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)[C@H](C)N1CCCCC1
InChIInChI=1S/C28H31N3O3.C27H29N3O4/c1-20(31-17-7-4-8-18-31)27(32)30-25-19-24(15-16-26(25)34-2)29-28(33)23-13-11-22(12-14-23)21-9-5-3-6-10-21;1-19(30-14-16-34-17-15-30)26(31)29-24-18-23(12-13-25(24)33-2)28-27(32)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,32);3-13,18-19H,14-17H2,1-2H3,(H,28,32)(H,29,31)/t20-;19-/m01/s1
InChIKeyZWKZANAVDLJXSO-KGKQRADVSA-N
MW917.12 g/mol
LogP9.70
Rot. Bonds14

About N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide

N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide (PubChem CID 162238892) has the molecular formula C55H60N6O7 and a molecular weight of 917.12 g/mol. Its IUPAC name is N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide
PubChem CID162238892
Molecular FormulaC55H60N6O7
Molecular Weight917.12 g/mol
Exact Mass916.45
IUPAC NameN-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)[C@@H](C)N1CCOCC1.COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)[C@H](C)N1CCCCC1
InChIInChI=1S/C28H31N3O3.C27H29N3O4/c1-20(31-17-7-4-8-18-31)27(32)30-25-19-24(15-16-26(25)34-2)29-28(33)23-13-11-22(12-14-23)21-9-5-3-6-10-21;1-19(30-14-16-34-17-15-30)26(31)29-24-18-23(12-13-25(24)33-2)28-27(32)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,32);3-13,18-19H,14-17H2,1-2H3,(H,28,32)(H,29,31)/t20-;19-/m01/s1
InChIKeyZWKZANAVDLJXSO-KGKQRADVSA-N
XLogP9.70
TPSA150.57 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.12
LogP ≤ 59.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide with MolForge

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Related Compounds

N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 86299604
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethyl)phenyl]-4-phenylbenzamide
CID 90459105
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
CID 90458981
N-(2-methoxy-5-methylphenyl)-2-morpholin-4-ylpropanamide;hydrochloride
CID 2942225
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4875043
(2S)-N-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274960
N-[3-[(2-chloroacetyl)amino]-4-methoxyphenyl]-4-phenylbenzamide
CID 90459234
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
4-[4-(aminomethyl)phenyl]-N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]benzamide
CID 90459335
N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-morpholin-4-ylbutanamide
CID 162074516
(2S)-2-(azocan-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 9460496

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide (CID 162238892) is N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)[C@@H](C)N1CCOCC1.COc1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1NC(=O)[C@H](C)N1CCCCC1.
What is the InChIKey of N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide?
The InChIKey is ZWKZANAVDLJXSO-KGKQRADVSA-N. The full InChI is InChI=1S/C28H31N3O3.C27H29N3O4/c1-20(31-17-7-4-8-18-31)27(32)30-25-19-24(15-16-26(25)34-2)29-28(33)23-13-11-22(12-14-23)21-9-5-3-6-10-21;1-19(30-14-16-34-17-15-30)26(31)29-24-18-23(12-13-25(24)33-2)28-27(32)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3,5-6,9-16,19-20H,4,7-8,17-18H2,1-2H3,(H,29,33)(H,30,32);3-13,18-19H,14-17H2,1-2H3,(H,28,32)(H,29,31)/t20-;19-/m01/s1.
What are the key properties of N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide?
N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide has a molecular weight of 917.12 g/mol, XLogP of 9.70, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]phenyl]-4-phenylbenzamide;N-[4-methoxy-3-[[(2S)-2-piperidin-1-ylpropanoyl]amino]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 162238892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).