(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide

C18H26N2O3 — CID 95305329

IUPAC(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccccc1O
InChIInChI=1S/C18H26N2O3/c1-13(20-17(22)11-14-7-3-2-4-8-14)18(23)19-12-15-9-5-6-10-16(15)21/h5-6,9-10,13-14,21H,2-4,7-8,11-12H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyWVYHTPIUPMDZPK-ZDUSSCGKSA-N
MW318.42 g/mol
LogP2.48
Rot. Bonds6

About (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide

(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide (PubChem CID 95305329) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
PubChem CID95305329
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
SMILESC[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccccc1O
InChIInChI=1S/C18H26N2O3/c1-13(20-17(22)11-14-7-3-2-4-8-14)18(23)19-12-15-9-5-6-10-16(15)21/h5-6,9-10,13-14,21H,2-4,7-8,11-12H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1
InChIKeyWVYHTPIUPMDZPK-ZDUSSCGKSA-N
XLogP2.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide (CID 95305329) is (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide is C[C@H](NC(=O)CC1CCCCC1)C(=O)NCc1ccccc1O.
What is the InChIKey of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide?
The InChIKey is WVYHTPIUPMDZPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(20-17(22)11-14-7-3-2-4-8-14)18(23)19-12-15-9-5-6-10-16(15)21/h5-6,9-10,13-14,21H,2-4,7-8,11-12H2,1H3,(H,19,23)(H,20,22)/t13-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide?
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide is sourced from PubChem (CID 95305329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).