2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride

C18H28ClN3O2 — CID 119763094

IUPAC2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride
SMILESCCCN(C(=O)CNCC1CC1)C(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-11-21(17(22)13-19-12-15-9-10-15)14(2)18(23)20-16-7-5-4-6-8-16;/h4-8,14-15,19H,3,9-13H2,1-2H3,(H,20,23);1H
InChIKeySFIZTIBOAKHXBG-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.67
Rot. Bonds9

About 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride

2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride (PubChem CID 119763094) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride
PubChem CID119763094
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride
SMILESCCCN(C(=O)CNCC1CC1)C(C)C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-3-11-21(17(22)13-19-12-15-9-10-15)14(2)18(23)20-16-7-5-4-6-8-16;/h4-8,14-15,19H,3,9-13H2,1-2H3,(H,20,23);1H
InChIKeySFIZTIBOAKHXBG-UHFFFAOYSA-N
XLogP2.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-anilino-1-oxopropan-2-yl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591026
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
2-[dimethylcarbamoyl(propyl)amino]-N-phenylpropanamide
CID 75519630
N-(1-anilino-1-oxopropan-2-yl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311611
2-[cyclobutyl(3-hydroxypropyl)amino]-N-phenylpropanamide
CID 102858396
2-[2-aminoethyl(cyclopentyl)amino]-N-phenylpropanamide
CID 63761281
N-(1-anilino-1-oxopropan-2-yl)-2-methyl-N-propyl-1H-pyrrole-3-carboxamide
CID 122147154
N-(1-anilino-1-oxopropan-2-yl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxo-N-propylbutanamide
CID 56583049
3-[(1-anilino-1-oxopropan-2-yl)-propylamino]-2-methylpropanoic acid
CID 82326694
N-(3-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]propanamide
CID 43588029
2-(cyclopropylmethylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]acetamide;dihydrochloride
CID 119883167
2-(cyclopropylmethylamino)-N-methyl-N-phenylacetamide
CID 60842442

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride?
The IUPAC name of 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride (CID 119763094) is 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride is CCCN(C(=O)CNCC1CC1)C(C)C(=O)Nc1ccccc1.Cl.
What is the InChIKey of 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride?
The InChIKey is SFIZTIBOAKHXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-3-11-21(17(22)13-19-12-15-9-10-15)14(2)18(23)20-16-7-5-4-6-8-16;/h4-8,14-15,19H,3,9-13H2,1-2H3,(H,20,23);1H.
What are the key properties of 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride?
2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethylamino)acetyl]-propylamino]-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119763094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).