3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide

C15H22N4O2 — CID 82992240

IUPAC3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C15H22N4O2/c1-19(2)15(21)10-3-6-13(12(16)9-10)17-8-7-14(20)18-11-4-5-11/h3,6,9,11,17H,4-5,7-8,16H2,1-2H3,(H,18,20)
InChIKeyIUORORUOICHDQE-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.05
Rot. Bonds6

About 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide

3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide (PubChem CID 82992240) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
PubChem CID82992240
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NCCC(=O)NC2CC2)c(N)c1
InChIInChI=1S/C15H22N4O2/c1-19(2)15(21)10-3-6-13(12(16)9-10)17-8-7-14(20)18-11-4-5-11/h3,6,9,11,17H,4-5,7-8,16H2,1-2H3,(H,18,20)
InChIKeyIUORORUOICHDQE-UHFFFAOYSA-N
XLogP1.05
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 63360878
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-N,N-dimethyl-4-(oxan-4-ylmethylamino)benzamide
CID 82989654
3-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-N,N-dimethylbenzamide
CID 106358993
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
methyl 5-amino-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]benzoate
CID 79395347
3-amino-4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzamide
CID 107846340
3-amino-4-[(2-ethylcyclopropyl)amino]-N,N-dimethylbenzamide
CID 114107499
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
4-[2-amino-4-(trifluoromethyl)anilino]-N-cyclopropylbutanamide
CID 79378514
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide (CID 82992240) is 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NCCC(=O)NC2CC2)c(N)c1.
What is the InChIKey of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide?
The InChIKey is IUORORUOICHDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-19(2)15(21)10-3-6-13(12(16)9-10)17-8-7-14(20)18-11-4-5-11/h3,6,9,11,17H,4-5,7-8,16H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide?
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82992240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).