2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide

C16H24N2O2 — CID 106135154

IUPAC2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCC1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(17,13-7-3-2-4-8-13)15(20)18-11-12-6-5-9-14(19)10-12/h2-4,7-8,12,14,19H,5-6,9-11,17H2,1H3,(H,18,20)
InChIKeyQMRBXYQKIFHMED-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide

2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide (PubChem CID 106135154) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
PubChem CID106135154
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
SMILESCC(N)(C(=O)NCC1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-16(17,13-7-3-2-4-8-13)15(20)18-11-12-6-5-9-14(19)10-12/h2-4,7-8,12,14,19H,5-6,9-11,17H2,1H3,(H,18,20)
InChIKeyQMRBXYQKIFHMED-UHFFFAOYSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-amino-N-[(2-hydroxycyclopentyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120590935
N-[(3-aminocyclohexyl)methyl]-2-methyl-2-phenylpropanamide
CID 106123888
2-amino-N-(2-cyclopentylethyl)-2-phenylpropanamide;hydrochloride
CID 120588835
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
2-amino-2-ethyl-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 106135166
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
N-[3-[(2-amino-2-phenylpropanoyl)amino]propyl]cyclobutanecarboxamide
CID 120593686

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide (CID 106135154) is 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide is CC(N)(C(=O)NCC1CCCC(O)C1)c1ccccc1.
What is the InChIKey of 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
The InChIKey is QMRBXYQKIFHMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(17,13-7-3-2-4-8-13)15(20)18-11-12-6-5-9-14(19)10-12/h2-4,7-8,12,14,19H,5-6,9-11,17H2,1H3,(H,18,20).
What are the key properties of 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide?
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 106135154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).