3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride

C19H29ClN2O — CID 119950307

IUPAC3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)N(CC1CCCCC1)C1CC1)c1ccccc1
InChIInChI=1S/C19H28N2O.ClH/c20-18(16-9-5-2-6-10-16)13-19(22)21(17-11-12-17)14-15-7-3-1-4-8-15;/h2,5-6,9-10,15,17-18H,1,3-4,7-8,11-14,20H2;1H
InChIKeyOFXDVQRLPULVHZ-UHFFFAOYSA-N
MW336.91 g/mol
LogP4.07
Rot. Bonds6

About 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride

3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride (PubChem CID 119950307) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
PubChem CID119950307
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)N(CC1CCCCC1)C1CC1)c1ccccc1
InChIInChI=1S/C19H28N2O.ClH/c20-18(16-9-5-2-6-10-16)13-19(22)21(17-11-12-17)14-15-7-3-1-4-8-15;/h2,5-6,9-10,15,17-18H,1,3-4,7-8,11-14,20H2;1H
InChIKeyOFXDVQRLPULVHZ-UHFFFAOYSA-N
XLogP4.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N-methyl-3-phenylpropanamide
CID 60963492
3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
CID 61161827
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119949645
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242
4-amino-N-(cyclohexylmethyl)-N-methyl-4-phenylbutanamide
CID 63324123
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
CID 119951028
3-amino-N-(cyclopropylmethyl)-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119952536
2-cycloheptyl-1-phenylethanamine
CID 21261900
(2R,3R)-N-cyclohexyl-N-(cyclopropylmethyl)-2,3-dihydroxy-3-phenylpropanamide
CID 71160765
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
(2R)-2-amino-N-cyclohexyl-N-ethyl-2-phenylacetamide
CID 61148081

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride (CID 119950307) is 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)N(CC1CCCCC1)C1CC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride?
The InChIKey is OFXDVQRLPULVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c20-18(16-9-5-2-6-10-16)13-19(22)21(17-11-12-17)14-15-7-3-1-4-8-15;/h2,5-6,9-10,15,17-18H,1,3-4,7-8,11-14,20H2;1H.
What are the key properties of 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119950307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).