(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide

C17H27N3O3 — CID 94641742

IUPAC(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C17H27N3O3/c1-7-17(4,5)20-16(22)11(2)18-13-8-9-14(19-12(3)21)15(10-13)23-6/h8-11,18H,7H2,1-6H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyTZQGMEGCEZCFJB-LLVKDONJSA-N
MW321.42 g/mol
LogP2.76
Rot. Bonds7

About (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide

(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 94641742) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
PubChem CID94641742
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C17H27N3O3/c1-7-17(4,5)20-16(22)11(2)18-13-8-9-14(19-12(3)21)15(10-13)23-6/h8-11,18H,7H2,1-6H3,(H,19,21)(H,20,22)/t11-/m1/s1
InChIKeyTZQGMEGCEZCFJB-LLVKDONJSA-N
XLogP2.76
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 43112841
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
CID 79797274
2-(3,4-dicyanoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 107789327
N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide
CID 81399723
2-[4-(dimethylamino)anilino]-N-(2-methylbutan-2-yl)propanamide
CID 43617105
N-tert-butyl-2-(3-chloro-4-methoxyanilino)propanamide
CID 43087356
(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide
CID 100726850
N-[2-methoxy-4-(1-thiophen-2-ylpropylamino)phenyl]acetamide
CID 43672924
2-(4-acetamido-3-chloroanilino)-N-(2-ethoxyphenyl)propanamide
CID 47018355
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
N-[2-methoxy-4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63992830

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide (CID 94641742) is (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)[C@@H](C)Nc1ccc(NC(C)=O)c(OC)c1.
What is the InChIKey of (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is TZQGMEGCEZCFJB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-7-17(4,5)20-16(22)11(2)18-13-8-9-14(19-12(3)21)15(10-13)23-6/h8-11,18H,7H2,1-6H3,(H,19,21)(H,20,22)/t11-/m1/s1.
What are the key properties of (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide?
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 94641742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).