3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide

C21H28N2O3 — CID 21198770

IUPAC3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
SMILESCOc1cc(NC(=O)C(O)C(N)CC2CCCCC2)cc2ccccc12
InChIInChI=1S/C21H28N2O3/c1-26-19-13-16(12-15-9-5-6-10-17(15)19)23-21(25)20(24)18(22)11-14-7-3-2-4-8-14/h5-6,9-10,12-14,18,20,24H,2-4,7-8,11,22H2,1H3,(H,23,25)
InChIKeyJXSWQBWPXWLBFU-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.45
Rot. Bonds6

About 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide

3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide (PubChem CID 21198770) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
PubChem CID21198770
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
SMILESCOc1cc(NC(=O)C(O)C(N)CC2CCCCC2)cc2ccccc12
InChIInChI=1S/C21H28N2O3/c1-26-19-13-16(12-15-9-5-6-10-17(15)19)23-21(25)20(24)18(22)11-14-7-3-2-4-8-14/h5-6,9-10,12-14,18,20,24H,2-4,7-8,11,22H2,1H3,(H,23,25)
InChIKeyJXSWQBWPXWLBFU-UHFFFAOYSA-N
XLogP3.45
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
CID 10133507
(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
CID 130340204
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
(3S)-3-amino-4-[(4-methoxynaphthalen-2-yl)amino]-4-oxobutanoic acid
CID 7021432
2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide;hydrochloride
CID 3014281
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 54429996
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 70064539
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride
CID 70090671
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(2S)-2,6-diamino-N-[(2S)-1-[(4-methoxynaphthalen-2-yl)amino]-1-oxopropan-2-yl]hexanamide;dihydrochloride
CID 71771494

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide?
The IUPAC name of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide (CID 21198770) is 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide.
What is the SMILES notation for 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide?
The canonical SMILES for 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide is COc1cc(NC(=O)C(O)C(N)CC2CCCCC2)cc2ccccc12.
What is the InChIKey of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide?
The InChIKey is JXSWQBWPXWLBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-26-19-13-16(12-15-9-5-6-10-17(15)19)23-21(25)20(24)18(22)11-14-7-3-2-4-8-14/h5-6,9-10,12-14,18,20,24H,2-4,7-8,11,22H2,1H3,(H,23,25).
What are the key properties of 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide?
3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide has a molecular weight of 356.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide is sourced from PubChem (CID 21198770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).