2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride

C17H27ClN2O — CID 56831881

IUPAC2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)C(N)Cc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-19(15-11-7-4-8-12-15)17(20)16(18)13-14-9-5-3-6-10-14;/h3,5-6,9-10,15-16H,2,4,7-8,11-13,18H2,1H3;1H
InChIKeyLTMBSCUDRCJBNI-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.16
Rot. Bonds5

About 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride

2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride (PubChem CID 56831881) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
PubChem CID56831881
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride
SMILESCCN(C(=O)C(N)Cc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-2-19(15-11-7-4-8-12-15)17(20)16(18)13-14-9-5-3-6-10-14;/h3,5-6,9-10,15-16H,2,4,7-8,11-13,18H2,1H3;1H
InChIKeyLTMBSCUDRCJBNI-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-3-phenyl-2-sulfanylpropanamide
CID 107020965
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CID 78985362
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081
(2S)-2-amino-N-cyclobutyl-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 102861710
ethyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-cyclopropylamino]acetate
CID 61164393
N-cyclohexyl-N-ethyl-2,2-diphenylacetamide
CID 21210383
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2R)-2-amino-N-benzyl-N-cyclohexylpropanamide;hydrochloride
CID 119042549
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-amino-N-cyclohexyl-N-ethyl-3-methoxypropanamide
CID 81080942
2-amino-N-cyclohexyl-N-ethyl-4-methylpentanamide;hydrochloride
CID 71898432
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride (CID 56831881) is 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride is CCN(C(=O)C(N)Cc1ccccc1)C1CCCCC1.Cl.
What is the InChIKey of 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride?
The InChIKey is LTMBSCUDRCJBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-2-19(15-11-7-4-8-12-15)17(20)16(18)13-14-9-5-3-6-10-14;/h3,5-6,9-10,15-16H,2,4,7-8,11-13,18H2,1H3;1H.
What are the key properties of 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride?
2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-N-ethyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 56831881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).