3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide

C16H18N2O — CID 61209180

IUPAC3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2cc1N)C1CC1
InChIInChI=1S/C16H18N2O/c1-2-18(13-7-8-13)16(19)14-9-11-5-3-4-6-12(11)10-15(14)17/h3-6,9-10,13H,2,7-8,17H2,1H3
InChIKeyANAVRTXHBLMWJO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.05
Rot. Bonds3

About 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide

3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide (PubChem CID 61209180) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
PubChem CID61209180
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2cc1N)C1CC1
InChIInChI=1S/C16H18N2O/c1-2-18(13-7-8-13)16(19)14-9-11-5-3-4-6-12(11)10-15(14)17/h3-6,9-10,13H,2,7-8,17H2,1H3
InChIKeyANAVRTXHBLMWJO-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646
3-amino-N-cyclopropyl-N-ethylpyridine-4-carboxamide
CID 105068531
2-amino-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155108
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
3-amino-N-methyl-N-phenylnaphthalene-2-carboxamide
CID 14678741
N-(4-aminocyclohexyl)-N-ethylbenzamide
CID 79116189
5-amino-2,3-dichloro-N-cyclopropyl-N-ethylbenzamide
CID 107183529
7-amino-N-cyclopentyl-N-ethyl-1H-indole-2-carboxamide
CID 62057898
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-cyclopropyl-N-ethyl-2,3-difluorobenzamide
CID 62649850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide (CID 61209180) is 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide is CCN(C(=O)c1cc2ccccc2cc1N)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide?
The InChIKey is ANAVRTXHBLMWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-2-18(13-7-8-13)16(19)14-9-11-5-3-4-6-12(11)10-15(14)17/h3-6,9-10,13H,2,7-8,17H2,1H3.
What are the key properties of 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide?
3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-ethylnaphthalene-2-carboxamide is sourced from PubChem (CID 61209180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).