(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide

C20H24N4O4 — CID 9329057

IUPAC(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N4O4/c1-12(20(27)24-16-7-5-15(6-8-16)22-13(2)25)21-18-11-17(23-14(3)26)9-10-19(18)28-4/h5-12,21H,1-4H3,(H,22,25)(H,23,26)(H,24,27)/t12-/m1/s1
InChIKeySXQQHKSVTMGCHA-GFCCVEGCSA-N
MW384.44 g/mol
LogP3.05
Rot. Bonds7

About (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide

(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide (PubChem CID 9329057) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
PubChem CID9329057
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C20H24N4O4/c1-12(20(27)24-16-7-5-15(6-8-16)22-13(2)25)21-18-11-17(23-14(3)26)9-10-19(18)28-4/h5-12,21H,1-4H3,(H,22,25)(H,23,26)(H,24,27)/t12-/m1/s1
InChIKeySXQQHKSVTMGCHA-GFCCVEGCSA-N
XLogP3.05
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2474098
(2R)-N-(4-acetamidophenyl)-2-(5-chloro-2,4-dimethoxyanilino)propanamide
CID 7831164
2-(4-acetamidoanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 51242163
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474949
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 2474947
(2R)-2-(5-acetamido-2-methoxyanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 35960984
2-(5-acetamido-2-methoxyanilino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide
CID 4884273
N-[4-methoxy-3-[[(2S)-1-[2-(3-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]amino]phenyl]acetamide
CID 32506683
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide
CID 34299749
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide?
The IUPAC name of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide (CID 9329057) is (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide.
What is the SMILES notation for (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide?
The canonical SMILES for (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide is COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide?
The InChIKey is SXQQHKSVTMGCHA-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-12(20(27)24-16-7-5-15(6-8-16)22-13(2)25)21-18-11-17(23-14(3)26)9-10-19(18)28-4/h5-12,21H,1-4H3,(H,22,25)(H,23,26)(H,24,27)/t12-/m1/s1.
What are the key properties of (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide?
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide has a molecular weight of 384.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide is sourced from PubChem (CID 9329057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).