2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide

C15H23N3O — CID 115377322

IUPAC2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CC2(N)CCC2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-11-5-6-12(9-13(11)18(2)3)17-14(19)10-15(16)7-4-8-15/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyIYBLRWWLQPFZEC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.27
Rot. Bonds4

About 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide

2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide (PubChem CID 115377322) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
PubChem CID115377322
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CC2(N)CCC2)cc1N(C)C
InChIInChI=1S/C15H23N3O/c1-11-5-6-12(9-13(11)18(2)3)17-14(19)10-15(16)7-4-8-15/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyIYBLRWWLQPFZEC-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
4-[[2-(1-aminocyclopentyl)acetyl]amino]-2-methylbenzoic acid
CID 64676821
2-(1-aminocyclobutyl)-N-(3-methyl-4-nitrophenyl)acetamide
CID 79853601
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
CID 79854067
2-(1-aminocyclobutyl)-N-(5-methoxy-2-methylphenyl)acetamide
CID 113266134
2-(1-aminocyclobutyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 79842925
2-(1-aminocyclopentyl)-N-[4-(diethylamino)phenyl]acetamide
CID 64685802
2-[[3-(dimethylamino)-4-methylphenyl]carbamoyl-methylamino]acetic acid
CID 115378578
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
N-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]-2-methylpropanamide
CID 79843543

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide (CID 115377322) is 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CC2(N)CCC2)cc1N(C)C.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
The InChIKey is IYBLRWWLQPFZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-5-6-12(9-13(11)18(2)3)17-14(19)10-15(16)7-4-8-15/h5-6,9H,4,7-8,10,16H2,1-3H3,(H,17,19).
What are the key properties of 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide?
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide is sourced from PubChem (CID 115377322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).