N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide

C19H30N2O2 — CID 110025076

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCN(CCNC(=O)CC(C)(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(23,16-9-5-3-6-10-16)15-18(22)20-13-14-21(2)17-11-7-4-8-12-17/h3,5-6,9-10,17,23H,4,7-8,11-15H2,1-2H3,(H,20,22)
InChIKeyQIGMICYPJOENHG-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.66
Rot. Bonds7

About N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide (PubChem CID 110025076) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
PubChem CID110025076
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
SMILESCN(CCNC(=O)CC(C)(O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(23,16-9-5-3-6-10-16)15-18(22)20-13-14-21(2)17-11-7-4-8-12-17/h3,5-6,9-10,17,23H,4,7-8,11-15H2,1-2H3,(H,20,22)
InChIKeyQIGMICYPJOENHG-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-phenylpropanamide
CID 63316114
N-[2-(cyclohexylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110025114
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
3-hydroxy-N-[2-(3-methylpiperidin-1-yl)ethyl]-3-phenylbutanamide
CID 110024824
N-[2-[2-[cyclohexyl(methyl)amino]ethylamino]-2-oxoethyl]propanamide
CID 86849216
N-[2-[cyclohexyl(methyl)amino]ethyl]pentanamide
CID 86848662
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
2-[cyclohexyl(methyl)amino]-N-(3,3-diphenylpropyl)acetamide
CID 68887856
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107029703
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357037

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide (CID 110025076) is N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide is CN(CCNC(=O)CC(C)(O)c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide?
The InChIKey is QIGMICYPJOENHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(23,16-9-5-3-6-10-16)15-18(22)20-13-14-21(2)17-11-7-4-8-12-17/h3,5-6,9-10,17,23H,4,7-8,11-15H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide has a molecular weight of 318.46 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide is sourced from PubChem (CID 110025076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).