8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

C22H31NO2 — CID 15883299

IUPAC8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCCCC[C@@H](O)c1cccc2cccc(C(=O)N(C(C)C)C(C)C)c12
InChIInChI=1S/C22H31NO2/c1-6-7-14-20(24)18-12-8-10-17-11-9-13-19(21(17)18)22(25)23(15(2)3)16(4)5/h8-13,15-16,20,24H,6-7,14H2,1-5H3/t20-/m1/s1
InChIKeyPURSUYFHXMWYBK-HXUWFJFHSA-N
MW341.50 g/mol
LogP5.32
Rot. Bonds7

About 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (PubChem CID 15883299) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
PubChem CID15883299
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCCCC[C@@H](O)c1cccc2cccc(C(=O)N(C(C)C)C(C)C)c12
InChIInChI=1S/C22H31NO2/c1-6-7-14-20(24)18-12-8-10-17-11-9-13-19(21(17)18)22(25)23(15(2)3)16(4)5/h8-13,15-16,20,24H,6-7,14H2,1-5H3/t20-/m1/s1
InChIKeyPURSUYFHXMWYBK-HXUWFJFHSA-N
XLogP5.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)[2-(naphthalen-2-yl)propan-2-yl]carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)benzamide
CID 461061
N-tert-Butyl-N-(2-hydroxyethyl)-4-methyl-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)(1-methyl-1-phenylethyl)carbamoyl]phenyl]butyl]benzamide
CID 475018
N,N-Diethyl-3-hydroxymethylbenzamide
CID 155712
N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)(2-phenylpropan-2-yl)carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)benzamide
CID 461057
N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)(1-methyl-1-phenylethyl)carbamoyl]-4-methylphenyl]butyl]benzamide
CID 461064
N-tert-Butyl-N-(2-hydroxyethyl)-2-[3-hydroxy-4-[2-[(2-hydroxyethyl)(1,1-diethylbutyl)carbamoyl]phenyl]butyl]benzamide
CID 475042
N-tert-butyl-2-(4-{2-[tert-butyl(2-hydroxyethyl)carbamoyl]phenyl}-3-hydroxybutyl)-N-(2-hydroxyethyl)benzamide
CID 461056
N-tert-butyl-2-(3-hydroxy-4-{2-[(2-hydroxyethyl)(2-methyl-1-phenylpropan-2-yl)carbamoyl]phenyl}butyl)-N-(2-hydroxyethyl)benzamide
CID 461059
(S)-N-(1-(1-hydroxy-1-phenylpropyl)piperidin-4-yl)-1-naphthamide
CID 44426500
[4-(5-Hydroxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)piperidin-1-yl]-phenylmethanone
CID 145977798
2-[4-[[Pentanoyl(propan-2-yl)amino]methyl]phenyl]benzoic acid
CID 162642938
6-benzyl-11-hydroxy-11H-indeno[1,2-c]isoquinolin-5-one
CID 44455596

Frequently Asked Questions

What is the IUPAC name of 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (CID 15883299) is 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is CCCC[C@@H](O)c1cccc2cccc(C(=O)N(C(C)C)C(C)C)c12.
What is the InChIKey of 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The InChIKey is PURSUYFHXMWYBK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H31NO2/c1-6-7-14-20(24)18-12-8-10-17-11-9-13-19(21(17)18)22(25)23(15(2)3)16(4)5/h8-13,15-16,20,24H,6-7,14H2,1-5H3/t20-/m1/s1.
What are the key properties of 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-1-hydroxypentyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 15883299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).