(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride

C18H27ClN2O — CID 119335197

IUPAC(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NC1CC1C1CCCCC1
InChIInChI=1S/C18H26N2O.ClH/c19-16(11-13-7-3-1-4-8-13)18(21)20-17-12-15(17)14-9-5-2-6-10-14;/h1,3-4,7-8,14-17H,2,5-6,9-12,19H2,(H,20,21);1H/t15?,16-,17?;/m0./s1
InChIKeyBLRXDQXDVYKDKP-NFYGTXRPSA-N
MW322.88 g/mol
LogP3.06
Rot. Bonds5

About (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride

(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119335197) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride
PubChem CID119335197
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)C(=O)NC1CC1C1CCCCC1
InChIInChI=1S/C18H26N2O.ClH/c19-16(11-13-7-3-1-4-8-13)18(21)20-17-12-15(17)14-9-5-2-6-10-14;/h1,3-4,7-8,14-17H,2,5-6,9-12,19H2,(H,20,21);1H/t15?,16-,17?;/m0./s1
InChIKeyBLRXDQXDVYKDKP-NFYGTXRPSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-(dicyclopropylmethyl)-3-phenylpropanamide;hydrochloride
CID 119277305
(2S)-2-amino-N-(3-ethylcyclohexyl)-3-phenylpropanamide
CID 64747832
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride (CID 119335197) is (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride is Cl.N[C@@H](Cc1ccccc1)C(=O)NC1CC1C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is BLRXDQXDVYKDKP-NFYGTXRPSA-N. The full InChI is InChI=1S/C18H26N2O.ClH/c19-16(11-13-7-3-1-4-8-13)18(21)20-17-12-15(17)14-9-5-2-6-10-14;/h1,3-4,7-8,14-17H,2,5-6,9-12,19H2,(H,20,21);1H/t15?,16-,17?;/m0./s1.
What are the key properties of (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride?
(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 322.88 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119335197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).