N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide

C20H19NO2 — CID 97038566

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
SMILESO=C(NCC[C@H](O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2/c22-19(16-8-2-1-3-9-16)13-14-21-20(23)18-12-6-10-15-7-4-5-11-17(15)18/h1-12,19,22H,13-14H2,(H,21,23)/t19-/m0/s1
InChIKeyPNDYUQDFAHTOGM-IBGZPJMESA-N
MW305.38 g/mol
LogP3.69
Rot. Bonds5

About N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide

N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide (PubChem CID 97038566) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
PubChem CID97038566
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
SMILESO=C(NCC[C@H](O)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2/c22-19(16-8-2-1-3-9-16)13-14-21-20(23)18-12-6-10-15-7-4-5-11-17(15)18/h1-12,19,22H,13-14H2,(H,21,23)/t19-/m0/s1
InChIKeyPNDYUQDFAHTOGM-IBGZPJMESA-N
XLogP3.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(naphthalene-1-carbonylamino)butanoic acid
CID 107832638
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]naphthalene-1-carboxamide
CID 121132420
3-bromo-N-(3-hydroxy-3-phenylpropyl)-2-methylbenzamide
CID 111471803
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
CID 66165230
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
2-ethoxy-N-(3-hydroxy-3-phenylpropyl)naphthalene-1-carboxamide
CID 90499582
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide (CID 97038566) is N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide is O=C(NCC[C@H](O)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide?
The InChIKey is PNDYUQDFAHTOGM-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19NO2/c22-19(16-8-2-1-3-9-16)13-14-21-20(23)18-12-6-10-15-7-4-5-11-17(15)18/h1-12,19,22H,13-14H2,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide is sourced from PubChem (CID 97038566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).