N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide

C13H19N3O3 — CID 62671021

IUPACN-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)CN
InChIInChI=1S/C13H19N3O3/c1-8(7-14)13(18)16-11-6-10(15-9(2)17)4-5-12(11)19-3/h4-6,8H,7,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNWWPDYOARKHXAC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide

N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide (PubChem CID 62671021) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
PubChem CID62671021
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)CN
InChIInChI=1S/C13H19N3O3/c1-8(7-14)13(18)16-11-6-10(15-9(2)17)4-5-12(11)19-3/h4-6,8H,7,14H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyNWWPDYOARKHXAC-UHFFFAOYSA-N
XLogP1.19
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide
CID 119278958
N-(3-acetamido-4-methoxyphenyl)-2-amino-3-methylbutanamide;hydrochloride
CID 119278957
N-[3-[[(2S,3S)-4-hydroxy-3-methylbutan-2-yl]carbamoylamino]-4-methoxyphenyl]acetamide
CID 95775570
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
N-(5-acetamido-2-methoxyphenyl)-2-(azetidin-3-yl)propanamide
CID 116675530
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
(2R)-N-(5-acetamido-2-methoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 8873735
3-amino-N-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpropanamide
CID 115153476
2-(5-acetamido-2-methoxyanilino)butanoic acid
CID 115352715

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide (CID 62671021) is N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide is COc1ccc(NC(C)=O)cc1NC(=O)C(C)CN.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide?
The InChIKey is NWWPDYOARKHXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(7-14)13(18)16-11-6-10(15-9(2)17)4-5-12(11)19-3/h4-6,8H,7,14H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide?
N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-amino-2-methylpropanamide is sourced from PubChem (CID 62671021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).