4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide

C28H31N3O4 — CID 90458981

IUPAC4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)C(C)N1CCOCC1
InChIInChI=1S/C28H31N3O4/c1-20(31-14-16-35-17-15-31)27(32)30-26-18-23(8-9-24(26)19-34-2)28(33)29-25-12-10-22(11-13-25)21-6-4-3-5-7-21/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyZGMVXYRAWGPYMV-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.41
Rot. Bonds8

About 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide

4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide (PubChem CID 90458981) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
PubChem CID90458981
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide
SMILESCOCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)C(C)N1CCOCC1
InChIInChI=1S/C28H31N3O4/c1-20(31-14-16-35-17-15-31)27(32)30-26-18-23(8-9-24(26)19-34-2)28(33)29-25-12-10-22(11-13-25)21-6-4-3-5-7-21/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyZGMVXYRAWGPYMV-UHFFFAOYSA-N
XLogP4.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
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
N-[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethyl)phenyl]-4-phenylbenzamide
CID 90459105
N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 86299604
4-(methylsulfonylmethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 86292833
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
(2R)-2-morpholin-4-yl-N-(2-phenylphenyl)propanamide
CID 1429478
4-methylsulfanyl-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86299107
N-(2-benzoylphenyl)-2-morpholin-4-ylpropanamide
CID 17461516
(2R)-N-[2-(4-methylbenzoyl)phenyl]-2-morpholin-4-ylpropanamide
CID 97426909
(2R)-N-(2-benzoyl-4-methylphenyl)-2-morpholin-4-ylpropanamide
CID 6551381
tert-butyl-[5-[5-[[3-(2-morpholin-4-ylpropanoylamino)-4-(trifluoromethoxy)benzoyl]amino]-2-pyridinyl]-2-pyridinyl]carbamic acid
CID 129021633

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide?
The IUPAC name of 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide (CID 90458981) is 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide.
What is the SMILES notation for 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide?
The canonical SMILES for 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide is COCc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1NC(=O)C(C)N1CCOCC1.
What is the InChIKey of 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide?
The InChIKey is ZGMVXYRAWGPYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20(31-14-16-35-17-15-31)27(32)30-26-18-23(8-9-24(26)19-34-2)28(33)29-25-12-10-22(11-13-25)21-6-4-3-5-7-21/h3-13,18,20H,14-17,19H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide?
4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide has a molecular weight of 473.57 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3-(2-morpholin-4-ylpropanoylamino)-N-(4-phenylphenyl)benzamide is sourced from PubChem (CID 90458981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).