N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide

C16H22N2O — CID 80506610

IUPACN-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
SMILESNC(CCNC(=O)C1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-15(13-7-3-1-4-8-13)11-12-18-16(19)14-9-5-2-6-10-14/h1-5,7-8,14-15H,6,9-12,17H2,(H,18,19)
InChIKeyOTGLTLYDNDRMMM-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.55
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide

N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 80506610) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
PubChem CID80506610
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide
SMILESNC(CCNC(=O)C1CC=CCC1)c1ccccc1
InChIInChI=1S/C16H22N2O/c17-15(13-7-3-1-4-8-13)11-12-18-16(19)14-9-5-2-6-10-14/h1-5,7-8,14-15H,6,9-12,17H2,(H,18,19)
InChIKeyOTGLTLYDNDRMMM-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-phenylpropyl)cyclopropanecarboxamide
CID 80506627
N-(3-amino-3-phenylpropyl)oxane-4-carboxamide
CID 80506614
(1R)-N-[(3S)-3-(3-chlorophenyl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 100696828
(1R)-N-[(2S)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730507
(1S)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]cyclohex-3-ene-1-carboxamide
CID 32730513
N-(3-amino-3-phenylpropyl)oxane-2-carboxamide
CID 80506763
(1R)-N-[(3S)-3-(furan-3-yl)-3-hydroxypropyl]cyclohex-3-ene-1-carboxamide
CID 97106297
3-(cyclohex-3-ene-1-carbonylamino)propanoic acid
CID 24699989
1-(3-amino-3-phenylpropyl)-3-cyclohexylurea
CID 80506800
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
(1R)-N-[2-(2-fluorophenyl)ethyl]cyclohex-3-ene-1-carboxamide
CID 39911564
(1R)-cyclohex-3-ene-1-carboxylic acid;cyclohex-3-ene-1-carboxylic acid;(1S)-1-phenylethanamine
CID 162157534

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide (CID 80506610) is N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide is NC(CCNC(=O)C1CC=CCC1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is OTGLTLYDNDRMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c17-15(13-7-3-1-4-8-13)11-12-18-16(19)14-9-5-2-6-10-14/h1-5,7-8,14-15H,6,9-12,17H2,(H,18,19).
What are the key properties of N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide?
N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 258.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 80506610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).