2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride

C14H28ClN3O2 — CID 119741253

IUPAC2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN(CCC)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-7-16-13(18)11-17(8-4-2)14(19)10-15-9-12-5-6-12;/h12,15H,3-11H2,1-2H3,(H,16,18);1H
InChIKeyYYYIGMRQCSKKGX-UHFFFAOYSA-N
MW305.85 g/mol
LogP1.17
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride

2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride (PubChem CID 119741253) has the molecular formula C14H28ClN3O2 and a molecular weight of 305.85 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
PubChem CID119741253
Molecular FormulaC14H28ClN3O2
Molecular Weight305.85 g/mol
Exact Mass305.19
IUPAC Name2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
SMILESCCCNC(=O)CN(CCC)C(=O)CNCC1CC1.Cl
InChIInChI=1S/C14H27N3O2.ClH/c1-3-7-16-13(18)11-17(8-4-2)14(19)10-15-9-12-5-6-12;/h12,15H,3-11H2,1-2H3,(H,16,18);1H
InChIKeyYYYIGMRQCSKKGX-UHFFFAOYSA-N
XLogP1.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
2-(cyclopropylmethylamino)-N-[2-[ethyl(propyl)amino]ethyl]acetamide;dihydrochloride
CID 119896212
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
2-(cyclopropylmethylamino)-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylacetamide
CID 119683191
2-morpholin-2-yl-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741257
2-[[2-oxo-2-(propylamino)ethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978414
N-[2-oxo-2-(propylamino)ethyl]-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119299137
N-[2-oxo-2-(propylamino)ethyl]-3-piperidin-3-yl-N-propylbutanamide;hydrochloride
CID 119741250
3-methyl-5-oxo-5-[[2-oxo-2-(propylamino)ethyl]-propylamino]pentanoic acid
CID 62965075
2-(cyclopropylmethylamino)-N,N-bis(3-methylbutyl)acetamide
CID 54870066
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864
N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride (CID 119741253) is 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride is CCCNC(=O)CN(CCC)C(=O)CNCC1CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
The InChIKey is YYYIGMRQCSKKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2.ClH/c1-3-7-16-13(18)11-17(8-4-2)14(19)10-15-9-12-5-6-12;/h12,15H,3-11H2,1-2H3,(H,16,18);1H.
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride?
2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119741253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).