N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride

C21H34ClN3O2 — CID 120649189

IUPACN-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-17(23-20(25)15-18-9-4-2-5-10-18)21(26)24(14-8-13-22)16-19-11-6-3-7-12-19;/h3,6-7,11-12,17-18H,2,4-5,8-10,13-16,22H2,1H3,(H,23,25);1H
InChIKeyUHLSCTHZRNBXSQ-UHFFFAOYSA-N
MW395.98 g/mol
LogP3.26
Rot. Bonds9

About N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride (PubChem CID 120649189) has the molecular formula C21H34ClN3O2 and a molecular weight of 395.98 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
PubChem CID120649189
Molecular FormulaC21H34ClN3O2
Molecular Weight395.98 g/mol
Exact Mass395.23
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
SMILESCC(NC(=O)CC1CCCCC1)C(=O)N(CCCN)Cc1ccccc1.Cl
InChIInChI=1S/C21H33N3O2.ClH/c1-17(23-20(25)15-18-9-4-2-5-10-18)21(26)24(14-8-13-22)16-19-11-6-3-7-12-19;/h3,6-7,11-12,17-18H,2,4-5,8-10,13-16,22H2,1H3,(H,23,25);1H
InChIKeyUHLSCTHZRNBXSQ-UHFFFAOYSA-N
XLogP3.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.98
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride (CID 120649189) is N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride is CC(NC(=O)CC1CCCCC1)C(=O)N(CCCN)Cc1ccccc1.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The InChIKey is UHLSCTHZRNBXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2.ClH/c1-17(23-20(25)15-18-9-4-2-5-10-18)21(26)24(14-8-13-22)16-19-11-6-3-7-12-19;/h3,6-7,11-12,17-18H,2,4-5,8-10,13-16,22H2,1H3,(H,23,25);1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride has a molecular weight of 395.98 g/mol, XLogP of 3.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 120649189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).