N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide

C27H30N4O4 — CID 95343423

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)N2CCOCC2)cc1
InChIInChI=1S/C27H30N4O4/c1-34-24-13-9-20(10-14-24)25(31-15-17-35-18-16-31)19-28-26(32)21-7-11-23(12-8-21)30-27(33)29-22-5-3-2-4-6-22/h2-14,25H,15-19H2,1H3,(H,28,32)(H2,29,30,33)/t25-/m1/s1
InChIKeySRDPFDFZLDJAPQ-RUZDIDTESA-N
MW474.56 g/mol
LogP4.14
Rot. Bonds8

About N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide

N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 95343423) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID95343423
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)N2CCOCC2)cc1
InChIInChI=1S/C27H30N4O4/c1-34-24-13-9-20(10-14-24)25(31-15-17-35-18-16-31)19-28-26(32)21-7-11-23(12-8-21)30-27(33)29-22-5-3-2-4-6-22/h2-14,25H,15-19H2,1H3,(H,28,32)(H2,29,30,33)/t25-/m1/s1
InChIKeySRDPFDFZLDJAPQ-RUZDIDTESA-N
XLogP4.14
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 31429464
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460518
4-methoxy-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 17011129
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 7496625
4-methoxy-N-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834563
4-(phenylcarbamoylamino)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 55436420
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
1-benzyl-N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]pyrazole-4-carboxamide
CID 31909068
4-methoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335533

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide (CID 95343423) is N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide is COc1ccc([C@@H](CNC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)N2CCOCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is SRDPFDFZLDJAPQ-RUZDIDTESA-N. The full InChI is InChI=1S/C27H30N4O4/c1-34-24-13-9-20(10-14-24)25(31-15-17-35-18-16-31)19-28-26(32)21-7-11-23(12-8-21)30-27(33)29-22-5-3-2-4-6-22/h2-14,25H,15-19H2,1H3,(H,28,32)(H2,29,30,33)/t25-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide?
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 474.56 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 95343423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).