(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide

C23H28N2O4 — CID 50992708

IUPAC(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide
SMILESC[C@H](O)C(=O)N(c1ccccc1O)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-16(26)23(29)25(19-14-8-9-15-20(19)27)21(17-10-4-2-5-11-17)22(28)24-18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18,21,26-27H,3,6-7,12-13H2,1H3,(H,24,28)/t16-,21?/m0/s1
InChIKeyVQOONLWQDGCMKA-BJQOMGFOSA-N
MW396.49 g/mol
LogP3.30
Rot. Bonds6

About (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide

(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide (PubChem CID 50992708) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide
PubChem CID50992708
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide
SMILESC[C@H](O)C(=O)N(c1ccccc1O)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C23H28N2O4/c1-16(26)23(29)25(19-14-8-9-15-20(19)27)21(17-10-4-2-5-11-17)22(28)24-18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18,21,26-27H,3,6-7,12-13H2,1H3,(H,24,28)/t16-,21?/m0/s1
InChIKeyVQOONLWQDGCMKA-BJQOMGFOSA-N
XLogP3.30
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)prop-2-ynamide
CID 1466138
methyl 3-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(2-hydroxyacetyl)amino]-4-hydroxybenzoate
CID 50992707
(2S)-2-(benzhydrylamino)-N-cyclopentylpropanamide
CID 8005843
N-[(1R)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-methylphenyl)thiadiazole-4-carboxamide
CID 7404338
N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide
CID 92982082
(3R)-N-cyclohexyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
CID 177440145
2-(N-(2-chloroacetyl)-4-fluoroanilino)-N-cyclohexyl-2-phenylacetamide
CID 53364514
tert-butyl N-[1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1-oxopropan-2-yl]carbamate
CID 18010813
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-N-naphthalen-1-ylpyrazine-2-carboxamide
CID 23910969

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide (CID 50992708) is (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide is C[C@H](O)C(=O)N(c1ccccc1O)C(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide?
The InChIKey is VQOONLWQDGCMKA-BJQOMGFOSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-16(26)23(29)25(19-14-8-9-15-20(19)27)21(17-10-4-2-5-11-17)22(28)24-18-12-6-3-7-13-18/h2,4-5,8-11,14-16,18,21,26-27H,3,6-7,12-13H2,1H3,(H,24,28)/t16-,21?/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide?
(2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide has a molecular weight of 396.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2-hydroxy-N-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 50992708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).