3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide

C16H18N2O — CID 61209356

IUPAC3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCC1CCC1
InChIInChI=1S/C16H18N2O/c17-15-9-13-7-2-1-6-12(13)8-14(15)16(19)18-10-11-4-3-5-11/h1-2,6-9,11H,3-5,10,17H2,(H,18,19)
InChIKeyQELRZAJMNIACDO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.95
Rot. Bonds3

About 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide

3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide (PubChem CID 61209356) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
PubChem CID61209356
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCC1CCC1
InChIInChI=1S/C16H18N2O/c17-15-9-13-7-2-1-6-12(13)8-14(15)16(19)18-10-11-4-3-5-11/h1-2,6-9,11H,3-5,10,17H2,(H,18,19)
InChIKeyQELRZAJMNIACDO-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide 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

2-amino-N-(cyclohexylmethyl)benzamide
CID 43215482
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-amino-N-(cyclobutylmethyl)-5-nitrobenzamide
CID 62061126
2-amino-N-(cyclohexylmethyl)-5-fluorobenzamide
CID 43371580
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
2-amino-3-chloro-N-(cyclobutylmethyl)benzamide
CID 115540048
2-amino-N-(cyclohexylmethyl)-5-nitrobenzamide
CID 62154778
N-[(3-aminocyclohexyl)methyl]naphthalene-1-carboxamide
CID 106123070
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
3-amino-N-(cyclobutylmethyl)benzamide
CID 43298160
5-amino-N-(cyclobutylmethyl)-2-methylbenzamide;hydrochloride
CID 120622474

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide (CID 61209356) is 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)NCC1CCC1.
What is the InChIKey of 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide?
The InChIKey is QELRZAJMNIACDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-15-9-13-7-2-1-6-12(13)8-14(15)16(19)18-10-11-4-3-5-11/h1-2,6-9,11H,3-5,10,17H2,(H,18,19).
What are the key properties of 3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide?
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 2.95, 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)naphthalene-2-carboxamide is sourced from PubChem (CID 61209356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).