3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide

C16H22N2O2 — CID 51144044

IUPAC3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-4-16(2,3)18-15(20)12-6-5-7-13(10-12)17-14(19)11-8-9-11/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWFYLJHCYVQZYFU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.95
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide

3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide (PubChem CID 51144044) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
PubChem CID51144044
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide
SMILESCCC(C)(C)NC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H22N2O2/c1-4-16(2,3)18-15(20)12-6-5-7-13(10-12)17-14(19)11-8-9-11/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyWFYLJHCYVQZYFU-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-2-methylbutanoic acid
CID 119199014
N-(2-methylbutan-2-yl)-3-(propanoylamino)benzamide
CID 17309747
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide
CID 119607471
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119607470
N-[3-(tert-butylcarbamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283628
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide (CID 51144044) is 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide is CCC(C)(C)NC(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide?
The InChIKey is WFYLJHCYVQZYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(2,3)18-15(20)12-6-5-7-13(10-12)17-14(19)11-8-9-11/h5-7,10-11H,4,8-9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide?
3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 51144044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).