3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride

C19H30ClN3O2 — CID 119951028

IUPAC3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCCNC(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H29N3O2.ClH/c20-17(16-9-5-2-6-10-16)14-19(24)22-12-11-21-18(23)13-15-7-3-1-4-8-15;/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,20H2,(H,21,23)(H,22,24);1H
InChIKeyTZCBSLXNUDLARD-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.70
Rot. Bonds8

About 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride

3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119951028) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
PubChem CID119951028
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride
SMILESCl.NC(CC(=O)NCCNC(=O)CC1CCCCC1)c1ccccc1
InChIInChI=1S/C19H29N3O2.ClH/c20-17(16-9-5-2-6-10-16)14-19(24)22-12-11-21-18(23)13-15-7-3-1-4-8-15;/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,20H2,(H,21,23)(H,22,24);1H
InChIKeyTZCBSLXNUDLARD-UHFFFAOYSA-N
XLogP2.70
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 114458464
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3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
3-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-3-phenylpropanamide
CID 79401824
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668147
N-(2-amino-1-phenylethyl)-2-cyclopentylacetamide
CID 63755039
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
CID 119949448
2-cyclohexyl-N-(3-phenylpropyl)acetamide
CID 59168672
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride (CID 119951028) is 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride is Cl.NC(CC(=O)NCCNC(=O)CC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is TZCBSLXNUDLARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c20-17(16-9-5-2-6-10-16)14-19(24)22-12-11-21-18(23)13-15-7-3-1-4-8-15;/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 2.70, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).