N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide

C17H21NO2 — CID 110485660

IUPACN-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-13(2)20-11-5-10-18-17(19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,18,19)
InChIKeyNWPGPDSIHHOGLS-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.38
Rot. Bonds6

About N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide

N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide (PubChem CID 110485660) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
PubChem CID110485660
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
SMILESCC(C)OCCCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H21NO2/c1-13(2)20-11-5-10-18-17(19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,18,19)
InChIKeyNWPGPDSIHHOGLS-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
N-(3-aminopropyl)naphthalene-2-carboxamide
CID 24691516
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
N-propylnaphthalene-2-carboxamide
CID 6624536
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]naphthalene-2-carboxamide
CID 71329089
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide (CID 110485660) is N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide is CC(C)OCCCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide?
The InChIKey is NWPGPDSIHHOGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(2)20-11-5-10-18-17(19)16-9-8-14-6-3-4-7-15(14)12-16/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide?
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 110485660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).