N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide

C14H21N3O3 — CID 79797274

IUPACN-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-14(3,15)13(19)17-10-6-7-11(16-9(2)18)12(8-10)20-4/h6-8H,5,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNUZGEMVHPURJLE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds5

About N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide

N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide (PubChem CID 79797274) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
PubChem CID79797274
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide
SMILESCCC(C)(N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-5-14(3,15)13(19)17-10-6-7-11(16-9(2)18)12(8-10)20-4/h6-8H,5,15H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyNUZGEMVHPURJLE-UHFFFAOYSA-N
XLogP1.72
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methoxy-4-methylphenyl)-2-methylbutanamide
CID 79805209
2-amino-N-[4-(carbamoylamino)-3-methoxyphenyl]-2-methylpropanamide
CID 119321312
N-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-methoxyphenyl]acetamide
CID 81399723
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
N-(5-acetamido-2-fluorophenyl)-2-amino-2-methylbutanamide
CID 79796992
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
N-(4-acetamido-3-methoxyphenyl)-2-methoxypropanamide
CID 47308212
(2R)-2-(4-acetamido-3-methoxyanilino)-N-(2-methylbutan-2-yl)propanamide
CID 94641742
2-amino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119282644
N-(4-acetamido-3-methoxyphenyl)-7-aminoheptanamide
CID 119713207
N-(4-formamido-2-methoxyphenyl)acetamide
CID 64990664
2-amino-N-(3-bromo-4-methylphenyl)-2-methylbutanamide
CID 79810570

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide?
The IUPAC name of N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide (CID 79797274) is N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide.
What is the SMILES notation for N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide?
The canonical SMILES for N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide is CCC(C)(N)C(=O)Nc1ccc(NC(C)=O)c(OC)c1.
What is the InChIKey of N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide?
The InChIKey is NUZGEMVHPURJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-14(3,15)13(19)17-10-6-7-11(16-9(2)18)12(8-10)20-4/h6-8H,5,15H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide?
N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide has a molecular weight of 279.34 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methoxyphenyl)-2-amino-2-methylbutanamide is sourced from PubChem (CID 79797274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).