5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide

C15H21N3O2 — CID 102705738

IUPAC5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCC(=O)NC2CC2)cc1N
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)13(16)8-12(9)15(20)17-6-5-14(19)18-11-3-4-11/h7-8,11H,3-6,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNYORVFUTYIBUAX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.28
Rot. Bonds5

About 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide

5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide (PubChem CID 102705738) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
PubChem CID102705738
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCCC(=O)NC2CC2)cc1N
InChIInChI=1S/C15H21N3O2/c1-9-7-10(2)13(16)8-12(9)15(20)17-6-5-14(19)18-11-3-4-11/h7-8,11H,3-6,16H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyNYORVFUTYIBUAX-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(4-hydroxycyclohexyl)-2,4-dimethylbenzamide
CID 102704817
5-amino-2,4-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 102704816
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-fluorobenzamide
CID 79400649
N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxy-4-methylbenzamide
CID 78917550
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
3-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-methylbenzamide
CID 79401552
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
N-[3-(cyclopropylamino)-3-oxopropyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81249567
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 79400745
5-bromo-N-[3-(cyclopropylamino)-3-oxopropyl]-2-hydroxybenzamide
CID 107729793

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide (CID 102705738) is 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCCC(=O)NC2CC2)cc1N.
What is the InChIKey of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
The InChIKey is NYORVFUTYIBUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-7-10(2)13(16)8-12(9)15(20)17-6-5-14(19)18-11-3-4-11/h7-8,11H,3-6,16H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide?
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).