4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide

C14H19N3O2 — CID 79851201

IUPAC4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C14H19N3O2/c1-9-7-10(13(15)19)3-4-11(9)17-12(18)8-14(16)5-2-6-14/h3-4,7H,2,5-6,8,16H2,1H3,(H2,15,19)(H,17,18)
InChIKeyAEKNAMRBGRBGNV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.30
Rot. Bonds4

About 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide

4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide (PubChem CID 79851201) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
PubChem CID79851201
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1NC(=O)CC1(N)CCC1
InChIInChI=1S/C14H19N3O2/c1-9-7-10(13(15)19)3-4-11(9)17-12(18)8-14(16)5-2-6-14/h3-4,7H,2,5-6,8,16H2,1H3,(H2,15,19)(H,17,18)
InChIKeyAEKNAMRBGRBGNV-UHFFFAOYSA-N
XLogP1.30
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminocyclopentyl)-N-(4-ethoxy-2-methylphenyl)acetamide
CID 64683884
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
4-[(1-aminocyclohexanecarbonyl)amino]-3-methylbenzamide
CID 43706651
2-(1-aminocyclobutyl)-N-(2-chloro-4-methylphenyl)acetamide
CID 79851100
ethyl 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-bromobenzoate
CID 79843321
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413
2-(1-aminocyclobutyl)-N-(5-methoxy-2-methylphenyl)acetamide
CID 113266134
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclobutyl)-N-(2-methyl-5-methylsulfonylphenyl)acetamide
CID 79851670
4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
CID 103555498
4-(2,2-dimethylpropylamino)-3-methylbenzamide
CID 61324735
2-(1-aminocyclobutyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 79851993

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide?
The IUPAC name of 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide (CID 79851201) is 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide.
What is the SMILES notation for 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide?
The canonical SMILES for 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1NC(=O)CC1(N)CCC1.
What is the InChIKey of 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide?
The InChIKey is AEKNAMRBGRBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-7-10(13(15)19)3-4-11(9)17-12(18)8-14(16)5-2-6-14/h3-4,7H,2,5-6,8,16H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide?
4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylbenzamide is sourced from PubChem (CID 79851201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).