8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide

C19H25NO2 — CID 100940435

IUPAC8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)N(C(=O)c1cccc2cccc([C@H](C)O)c12)C(C)C
InChIInChI=1S/C19H25NO2/c1-12(2)20(13(3)4)19(22)17-11-7-9-15-8-6-10-16(14(5)21)18(15)17/h6-14,21H,1-5H3/t14-/m0/s1
InChIKeyFBQFHNSIHHQTQX-AWEZNQCLSA-N
MW299.41 g/mol
LogP4.15
Rot. Bonds4

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

8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (PubChem CID 100940435) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
PubChem CID100940435
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide
SMILESCC(C)N(C(=O)c1cccc2cccc([C@H](C)O)c12)C(C)C
InChIInChI=1S/C19H25NO2/c1-12(2)20(13(3)4)19(22)17-11-7-9-15-8-6-10-16(14(5)21)18(15)17/h6-14,21H,1-5H3/t14-/m0/s1
InChIKeyFBQFHNSIHHQTQX-AWEZNQCLSA-N
XLogP4.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.15
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-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The IUPAC name of 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide (CID 100940435) is 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The canonical SMILES for 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is CC(C)N(C(=O)c1cccc2cccc([C@H](C)O)c12)C(C)C.
What is the InChIKey of 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
The InChIKey is FBQFHNSIHHQTQX-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12(2)20(13(3)4)19(22)17-11-7-9-15-8-6-10-16(14(5)21)18(15)17/h6-14,21H,1-5H3/t14-/m0/s1.
What are the key properties of 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide?
8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide has a molecular weight of 299.41 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S)-1-hydroxyethyl]-N,N-di(propan-2-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 100940435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).