3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide

C15H22N2O — CID 64918620

IUPAC3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
SMILESCCC(Nc1cccc(C(=O)NC)c1C)C1CC1
InChIInChI=1S/C15H22N2O/c1-4-13(11-8-9-11)17-14-7-5-6-12(10(14)2)15(18)16-3/h5-7,11,13,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyVOAXRJWOUPCGOO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds5

About 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide

3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide (PubChem CID 64918620) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
PubChem CID64918620
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide
SMILESCCC(Nc1cccc(C(=O)NC)c1C)C1CC1
InChIInChI=1S/C15H22N2O/c1-4-13(11-8-9-11)17-14-7-5-6-12(10(14)2)15(18)16-3/h5-7,11,13,17H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyVOAXRJWOUPCGOO-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
3-(1-cyclobutylpropan-2-ylamino)-N,2-dimethylbenzamide
CID 115916570
N,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]benzamide
CID 43734494
4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
CID 64917782
N,2-dimethyl-3-(1-thiophen-2-ylpropylamino)benzamide
CID 43734480
N-(2-amino-1-cyclopropylethyl)-2-methyl-3-(3-methylbutan-2-ylamino)benzamide
CID 119615851
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491
N,2-dimethyl-3-(nonan-2-ylamino)benzamide
CID 43734562
N-(1-cyclopropylpropyl)naphthalen-1-amine
CID 64919441
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
N,2-dimethyl-3-[1-(5-methylfuran-2-yl)ethylamino]benzamide
CID 43734599

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide?
The IUPAC name of 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide (CID 64918620) is 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide.
What is the SMILES notation for 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide?
The canonical SMILES for 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide is CCC(Nc1cccc(C(=O)NC)c1C)C1CC1.
What is the InChIKey of 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide?
The InChIKey is VOAXRJWOUPCGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-13(11-8-9-11)17-14-7-5-6-12(10(14)2)15(18)16-3/h5-7,11,13,17H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide?
3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide has a molecular weight of 246.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpropylamino)-N,2-dimethylbenzamide is sourced from PubChem (CID 64918620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).