N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride

C17H27ClN4O2 — CID 119615189

IUPACN-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-21(12-13-5-3-2-4-6-13)17(23)19-10-9-16(22)20-15(11-18)14-7-8-14;/h2-6,14-15H,7-12,18H2,1H3,(H,19,23)(H,20,22);1H
InChIKeyYFSZXSJBHWHMNT-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.49
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride (PubChem CID 119615189) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
PubChem CID119615189
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)NCCC(=O)NC(CN)C1CC1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-21(12-13-5-3-2-4-6-13)17(23)19-10-9-16(22)20-15(11-18)14-7-8-14;/h2-6,14-15H,7-12,18H2,1H3,(H,19,23)(H,20,22);1H
InChIKeyYFSZXSJBHWHMNT-UHFFFAOYSA-N
XLogP1.49
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65189008
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CID 119451808
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
N-(2-amino-2-phenylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119528512
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119518811
N-(1-amino-2,4-dimethylpentan-2-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119598846
N-[3-[(2-amino-1-cyclohexylethyl)amino]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119589410
N-[2-(4-aminophenyl)ethyl]-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 119548569
1-benzyl-1-methyl-3-[3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]urea;hydrochloride
CID 119561837
N-(5-amino-2-methylphenyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride
CID 120568392
3-[3-[(3R)-3-aminopyrrolidin-1-yl]-3-oxopropyl]-1-benzyl-1-methylurea
CID 119411270
N-(1-benzoylpiperidin-4-yl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide
CID 56581428

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride (CID 119615189) is N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride is CN(Cc1ccccc1)C(=O)NCCC(=O)NC(CN)C1CC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
The InChIKey is YFSZXSJBHWHMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-21(12-13-5-3-2-4-6-13)17(23)19-10-9-16(22)20-15(11-18)14-7-8-14;/h2-6,14-15H,7-12,18H2,1H3,(H,19,23)(H,20,22);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[[benzyl(methyl)carbamoyl]amino]propanamide;hydrochloride is sourced from PubChem (CID 119615189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).