3-amino-N-hexan-3-ylnaphthalene-2-carboxamide

C17H22N2O — CID 62117269

IUPAC3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
SMILESCCCC(CC)NC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C17H22N2O/c1-3-7-14(4-2)19-17(20)15-10-12-8-5-6-9-13(12)11-16(15)18/h5-6,8-11,14H,3-4,7,18H2,1-2H3,(H,19,20)
InChIKeyMSWPOXQHCVLDEA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.73
Rot. Bonds5

About 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide

3-amino-N-hexan-3-ylnaphthalene-2-carboxamide (PubChem CID 62117269) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
PubChem CID62117269
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-amino-N-hexan-3-ylnaphthalene-2-carboxamide
SMILESCCCC(CC)NC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C17H22N2O/c1-3-7-14(4-2)19-17(20)15-10-12-8-5-6-9-13(12)11-16(15)18/h5-6,8-11,14H,3-4,7,18H2,1-2H3,(H,19,20)
InChIKeyMSWPOXQHCVLDEA-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.73
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

2-amino-N-hexan-3-yl-4,5-dimethoxybenzamide
CID 62094732
N-hexan-3-yl-2-hydroxybenzamide
CID 62046226
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
3-amino-2-chloro-N-hexan-3-ylbenzamide
CID 112575833
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
3-amino-2,5-difluoro-N-hexan-3-ylbenzamide
CID 107120973
N-(1-aminopentan-2-yl)naphthalene-1-carboxamide
CID 65191426
5-amino-2-chloro-N-hexan-3-ylpyridine-4-carboxamide
CID 114089470
2-[2-(hexan-3-ylcarbamoyl)phenyl]acetic acid
CID 114199808
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]propanoate
CID 61209553
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
CID 69431961
2-amino-N-pentan-3-ylbenzamide;hydrochloride
CID 119943648

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide (CID 62117269) is 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide is CCCC(CC)NC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide?
The InChIKey is MSWPOXQHCVLDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-7-14(4-2)19-17(20)15-10-12-8-5-6-9-13(12)11-16(15)18/h5-6,8-11,14H,3-4,7,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide?
3-amino-N-hexan-3-ylnaphthalene-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexan-3-ylnaphthalene-2-carboxamide is sourced from PubChem (CID 62117269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).