3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide

C14H18N2O2 — CID 17197396

IUPAC3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O2/c1-9(2)15-14(18)11-4-3-5-12(8-11)16-13(17)10-6-7-10/h3-5,8-10H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDROZZKJDKIEUSZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.17
Rot. Bonds4

About 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide

3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide (PubChem CID 17197396) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
PubChem CID17197396
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C14H18N2O2/c1-9(2)15-14(18)11-4-3-5-12(8-11)16-13(17)10-6-7-10/h3-5,8-10H,6-7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDROZZKJDKIEUSZ-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropanecarbonylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197683
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
CID 51158620
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-[1-(1-adamantyl)ethyl]-3-(cyclopropanecarbonylamino)benzamide
CID 46557695
(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956289
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
3-(cyclohexanecarbonylamino)-N-methoxybenzamide
CID 38039849
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
methyl 2-[[3-(cyclohexanecarbonylamino)benzoyl]amino]-2-phenylacetate
CID 60609882

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide (CID 17197396) is 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide?
The InChIKey is DROZZKJDKIEUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(2)15-14(18)11-4-3-5-12(8-11)16-13(17)10-6-7-10/h3-5,8-10H,6-7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide?
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide has a molecular weight of 246.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).