4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride

C15H22ClN3O2 — CID 119684141

IUPAC4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-3-18(4-2)13(19)11-5-7-12(8-6-11)17-14(20)15(16)9-10-15;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,20);1H
InChIKeyNGUAAVFMNXXZEG-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.02
Rot. Bonds5

About 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride

4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride (PubChem CID 119684141) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
PubChem CID119684141
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2(N)CC2)cc1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-3-18(4-2)13(19)11-5-7-12(8-6-11)17-14(20)15(16)9-10-15;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,20);1H
InChIKeyNGUAAVFMNXXZEG-UHFFFAOYSA-N
XLogP2.02
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-aminocyclopropanecarbonyl)amino]-N-[2-(diethylamino)ethyl]benzamide;dihydrochloride
CID 119827819
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
4-[(1-aminocyclopentanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
CID 119298023
N,N-diethyl-4-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 27445895
N,N-diethyl-4-[[2-(1-hydroxycyclopentyl)acetyl]amino]benzamide
CID 111432194
1-amino-N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119717908
4-[(2-amino-2-methylbutanoyl)amino]-N,N-diethylbenzamide
CID 79792462
1-amino-N-(4-ethylsulfonylphenyl)cyclopropane-1-carboxamide
CID 65466585
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426

Frequently Asked Questions

What is the IUPAC name of 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride (CID 119684141) is 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(NC(=O)C2(N)CC2)cc1.Cl.
What is the InChIKey of 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is NGUAAVFMNXXZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-3-18(4-2)13(19)11-5-7-12(8-6-11)17-14(20)15(16)9-10-15;/h5-8H,3-4,9-10,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride?
4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-aminocyclopropanecarbonyl)amino]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 119684141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).