3-amino-N-(cyclobutylmethyl)benzamide

C12H16N2O — CID 43298160

IUPAC3-amino-N-(cyclobutylmethyl)benzamide
SMILESNc1cccc(C(=O)NCC2CCC2)c1
InChIInChI=1S/C12H16N2O/c13-11-6-2-5-10(7-11)12(15)14-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8,13H2,(H,14,15)
InChIKeyNVOWCQUJVHHFMS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.80
Rot. Bonds3

About 3-amino-N-(cyclobutylmethyl)benzamide

3-amino-N-(cyclobutylmethyl)benzamide (PubChem CID 43298160) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)benzamide
PubChem CID43298160
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-amino-N-(cyclobutylmethyl)benzamide
SMILESNc1cccc(C(=O)NCC2CCC2)c1
InChIInChI=1S/C12H16N2O/c13-11-6-2-5-10(7-11)12(15)14-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8,13H2,(H,14,15)
InChIKeyNVOWCQUJVHHFMS-UHFFFAOYSA-N
XLogP1.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-diamino-N-(cyclopentylmethyl)benzamide
CID 61095768
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
N-(cyclobutylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43298902
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
3-amino-N-[2-(3-methylcyclohexyl)ethyl]benzamide;hydrochloride
CID 119783133
N-(cyclopentylmethyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43371334
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide;hydrochloride
CID 119766801
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]benzamide;dihydrochloride
CID 119879593
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
3-amino-4-bromo-N-(cyclopentylmethyl)benzamide
CID 61095376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)benzamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)benzamide (CID 43298160) is 3-amino-N-(cyclobutylmethyl)benzamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)benzamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)benzamide is Nc1cccc(C(=O)NCC2CCC2)c1.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)benzamide?
The InChIKey is NVOWCQUJVHHFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-6-2-5-10(7-11)12(15)14-8-9-3-1-4-9/h2,5-7,9H,1,3-4,8,13H2,(H,14,15).
What are the key properties of 3-amino-N-(cyclobutylmethyl)benzamide?
3-amino-N-(cyclobutylmethyl)benzamide has a molecular weight of 204.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclobutylmethyl)benzamide is sourced from PubChem (CID 43298160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).