N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide

C18H28N2O2 — CID 119528830

IUPACN-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide
SMILESCCC(OC1CCCCC1)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-17(22-15-11-7-4-8-12-15)18(21)20-13-16(19)14-9-5-3-6-10-14/h3,5-6,9-10,15-17H,2,4,7-8,11-13,19H2,1H3,(H,20,21)
InChIKeyVSLRPKHSHWVRNC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.93
Rot. Bonds7

About N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide

N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide (PubChem CID 119528830) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide
PubChem CID119528830
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide
SMILESCCC(OC1CCCCC1)C(=O)NCC(N)c1ccccc1
InChIInChI=1S/C18H28N2O2/c1-2-17(22-15-11-7-4-8-12-15)18(21)20-13-16(19)14-9-5-3-6-10-14/h3,5-6,9-10,15-17H,2,4,7-8,11-13,19H2,1H3,(H,20,21)
InChIKeyVSLRPKHSHWVRNC-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-cyclopentyloxybutanamide
CID 119525775
N-(2-amino-2-phenylethyl)-2-(3-methylcyclohexyl)oxybutanamide;hydrochloride
CID 119528546
2-(2-cyclohexyloxybutanoylamino)acetic acid
CID 119350338
N-(2-amino-2-phenylethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81478648
(2R)-2-(2-cyclopentyloxybutanoylamino)-3-phenylpropanoic acid
CID 122065107
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
N-(2-amino-2-phenylethyl)-2-(azepan-1-yl)propanamide
CID 119527892
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
(2R)-2-cyclopentyloxy-N-[3-(2-oxo-1-pyridinyl)propyl]butanamide
CID 96533467
5-(2-cyclopentyloxybutanoylamino)pentanoic acid
CID 119234716
benzyl N-(2-amino-2-phenylethyl)carbamate
CID 19016786
methyl (2S)-2-cyclopentyloxy-3-(phenylmethoxycarbonylamino)propanoate
CID 169233741

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide (CID 119528830) is N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide is CCC(OC1CCCCC1)C(=O)NCC(N)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide?
The InChIKey is VSLRPKHSHWVRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-2-17(22-15-11-7-4-8-12-15)18(21)20-13-16(19)14-9-5-3-6-10-14/h3,5-6,9-10,15-17H,2,4,7-8,11-13,19H2,1H3,(H,20,21).
What are the key properties of N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide?
N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide has a molecular weight of 304.43 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-2-cyclohexyloxybutanamide is sourced from PubChem (CID 119528830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).