N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide

C20H23N3O2 — CID 22737877

IUPACN-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
SMILESCCNC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-4-22-19(24)16-6-5-15-10-17(8-7-14(15)9-16)20(25,13(2)3)18-11-21-12-23-18/h5-13,25H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJYTGSYXSDJJCCR-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.20
Rot. Bonds5

About N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide

N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide (PubChem CID 22737877) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
PubChem CID22737877
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide
SMILESCCNC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-4-22-19(24)16-6-5-15-10-17(8-7-14(15)9-16)20(25,13(2)3)18-11-21-12-23-18/h5-13,25H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJYTGSYXSDJJCCR-UHFFFAOYSA-N
XLogP3.20
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carbonyl]amino]propanoic acid
CID 68883987
1H-imidazol-5-yl-(6-methoxynaphthalen-2-yl)methanone;1-(1H-imidazol-5-yl)-1-(6-methoxynaphthalen-2-yl)-2-methylpropan-1-ol
CID 158043294
N-ethylisoquinoline-6-carboxamide
CID 110485080
N-tert-butyl-4-[1-hydroxy-1-(1H-imidazol-5-yl)propyl]benzamide
CID 19422021
1-(1H-imidazol-5-yl)-1-[6-methoxy-5-(2-methoxyethyl)naphthalen-2-yl]-2-methylpropan-1-ol
CID 70197982
1-(6-ethoxynaphthalen-2-yl)-1-(1H-imidazol-5-yl)-2-methylpropan-1-ol;1-(6-ethoxynaphthalen-2-yl)-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
CID 157221033
N,2,3-triethylquinoxaline-6-carboxamide
CID 22588073
6-(propylcarbamoyl)naphthalene-2-carboxylic acid
CID 139642234
N-hexylisoquinoline-6-carboxamide
CID 110485174
2-(isoquinoline-6-carbonylamino)butanoic acid
CID 110485108
N-ethyl-4-trimethylstannylbenzamide
CID 163615316
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
The IUPAC name of N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide (CID 22737877) is N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide is CCNC(=O)c1ccc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2c1.
What is the InChIKey of N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
The InChIKey is JYTGSYXSDJJCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-22-19(24)16-6-5-15-10-17(8-7-14(15)9-16)20(25,13(2)3)18-11-21-12-23-18/h5-13,25H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide?
N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 22737877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).