N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide

C13H19N3O — CID 80561000

IUPACN-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CC(N)C2)c1
InChIInChI=1S/C13H19N3O/c1-8-3-4-11(15-9(2)17)7-13(8)16-12-5-10(14)6-12/h3-4,7,10,12,16H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyNSZHMQLXTYGVCJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.86
Rot. Bonds3

About N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide

N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide (PubChem CID 80561000) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
PubChem CID80561000
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NC2CC(N)C2)c1
InChIInChI=1S/C13H19N3O/c1-8-3-4-11(15-9(2)17)7-13(8)16-12-5-10(14)6-12/h3-4,7,10,12,16H,5-6,14H2,1-2H3,(H,15,17)
InChIKeyNSZHMQLXTYGVCJ-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-3-[(1-oxothian-4-yl)amino]phenyl]acetamide
CID 54981288
N-[4-methyl-3-[(3,3,5-trimethylcyclohexyl)amino]phenyl]acetamide
CID 43739606
N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-methylphenyl]acetamide
CID 63162861
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
CID 63043939
N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
CID 104870299
3-[(3-aminocyclobutyl)amino]-4-methylbenzonitrile
CID 80562351
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[4-fluoro-3-[(3-methoxycyclobutyl)amino]phenyl]acetamide
CID 104870720
N-[3-[(3,5-dimethylcyclohexyl)amino]-4-methoxyphenyl]acetamide
CID 64752342
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
CID 80558984
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide (CID 80561000) is N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)c(NC2CC(N)C2)c1.
What is the InChIKey of N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide?
The InChIKey is NSZHMQLXTYGVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-3-4-11(15-9(2)17)7-13(8)16-12-5-10(14)6-12/h3-4,7,10,12,16H,5-6,14H2,1-2H3,(H,15,17).
What are the key properties of N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide?
N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-aminocyclobutyl)amino]-4-methylphenyl]acetamide is sourced from PubChem (CID 80561000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).