4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide

C24H25N3O4 — CID 30798117

IUPAC4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(N[C@H](C)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C24H25N3O4/c1-16(23(28)26-19-8-4-6-10-21(19)30-2)25-18-14-12-17(13-15-18)24(29)27-20-9-5-7-11-22(20)31-3/h4-16,25H,1-3H3,(H,26,28)(H,27,29)/t16-/m1/s1
InChIKeyVZIWMXWQVCPLQT-MRXNPFEDSA-N
MW419.48 g/mol
LogP4.40
Rot. Bonds8

About 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide

4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 30798117) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID30798117
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(N[C@H](C)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C24H25N3O4/c1-16(23(28)26-19-8-4-6-10-21(19)30-2)25-18-14-12-17(13-15-18)24(29)27-20-9-5-7-11-22(20)31-3/h4-16,25H,1-3H3,(H,26,28)(H,27,29)/t16-/m1/s1
InChIKeyVZIWMXWQVCPLQT-MRXNPFEDSA-N
XLogP4.40
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
4-[2-(2,5-dimethylanilino)propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 43001096
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
3-[[1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 17485799
(2R)-N-(2-methoxyphenyl)-2-(4-phenylmethoxyanilino)propanamide
CID 7830477
4-chloro-N-[4-[[1-(2-ethoxyanilino)-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 60583133
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-4-phenylbenzamide
CID 26522657
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide
CID 41153855

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide (CID 30798117) is 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(N[C@H](C)C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is VZIWMXWQVCPLQT-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16(23(28)26-19-8-4-6-10-21(19)30-2)25-18-14-12-17(13-15-18)24(29)27-20-9-5-7-11-22(20)31-3/h4-16,25H,1-3H3,(H,26,28)(H,27,29)/t16-/m1/s1.
What are the key properties of 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 419.48 g/mol, XLogP of 4.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 30798117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).