N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide

C17H21NO2 — CID 111461088

IUPACN-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-12(2)16(19)9-10-18-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyOAVIDVUVPRWZMQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.98
Rot. Bonds5

About N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide

N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide (PubChem CID 111461088) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
PubChem CID111461088
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-12(2)16(19)9-10-18-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16,19H,9-10H2,1-2H3,(H,18,20)
InChIKeyOAVIDVUVPRWZMQ-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypentyl)naphthalene-2-carboxamide
CID 115703584
2-methyl-4-(naphthalene-2-carbonylamino)butanoic acid
CID 80538465
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-propylnaphthalene-2-carboxamide
CID 6624536
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[2-[di(propan-2-yl)amino]ethyl]naphthalene-2-carboxamide
CID 17461104
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-pentylnaphthalene-2-carboxamide
CID 91722098
3-methyl-2-[3-(naphthalene-2-carbonylamino)propanoylamino]butanoic acid
CID 119169798

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide (CID 111461088) is N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide is CC(C)C(O)CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
The InChIKey is OAVIDVUVPRWZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(2)16(19)9-10-18-17(20)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11-12,16,19H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide?
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide is sourced from PubChem (CID 111461088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).