N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide

C14H22N2O — CID 43672883

IUPACN-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
SMILESCCC(CC)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C14H22N2O/c1-5-12(6-2)16-13-7-8-14(10(3)9-13)15-11(4)17/h7-9,12,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyKDAYCHKVNKZDPZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.55
Rot. Bonds5

About N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide

N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide (PubChem CID 43672883) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
PubChem CID43672883
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
SMILESCCC(CC)Nc1ccc(NC(C)=O)c(C)c1
InChIInChI=1S/C14H22N2O/c1-5-12(6-2)16-13-7-8-14(10(3)9-13)15-11(4)17/h7-9,12,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyKDAYCHKVNKZDPZ-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(butan-2-ylamino)-2-methylphenyl]acetamide
CID 43672867
N-(4-acetamido-3-methylphenyl)-2-aminobutanamide
CID 43698853
N-[2-methyl-4-(nonan-2-ylamino)phenyl]acetamide
CID 43672857
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-[4-[1-(5-ethylthiophen-2-yl)ethylamino]-2-methylphenyl]acetamide
CID 61334340
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[4-[(2S)-butan-2-yl]-2-methylphenyl]acetamide
CID 142207659
N-[2-methyl-4-(1-pyridin-4-ylethylamino)phenyl]acetamide
CID 43672879
[2-methyl-5-(pentan-3-ylamino)phenyl]methyl acetate
CID 12940762
tert-butyl N-[2-(4-acetamido-3-methylanilino)propyl]carbamate
CID 103387940
N-[2-methyl-4-[[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284461
N-[2-methyl-4-[[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]acetamide
CID 34284466

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide (CID 43672883) is N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide is CCC(CC)Nc1ccc(NC(C)=O)c(C)c1.
What is the InChIKey of N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide?
The InChIKey is KDAYCHKVNKZDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-12(6-2)16-13-7-8-14(10(3)9-13)15-11(4)17/h7-9,12,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide?
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide has a molecular weight of 234.34 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 43672883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).