N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide

C15H20N2O2 — CID 17204538

IUPACN-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14(19)17-12-6-4-5-11(9-12)16-13(18)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZVTZOYXVKOKVIG-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.02
Rot. Bonds3

About N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide

N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 17204538) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID17204538
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O2/c1-15(2,3)14(19)17-12-6-4-5-11(9-12)16-13(18)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyZVTZOYXVKOKVIG-UHFFFAOYSA-N
XLogP3.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[2-methyl-2-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
CID 62848369
N-[3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38325393
cis-(1S,2R)-2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 42561915
N-[3-(2,2,3,3-tetrafluoropropanoylamino)phenyl]cyclopropanecarboxamide
CID 103732512
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[2-(tert-butylamino)ethylamino]phenyl]cyclopropanecarboxamide
CID 107444617
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
CID 28620650
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774
N-(3-formamidophenyl)cyclopropanecarboxamide
CID 64991224
N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
CID 78968942

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide (CID 17204538) is N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide is CC(C)(C)C(=O)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is ZVTZOYXVKOKVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-15(2,3)14(19)17-12-6-4-5-11(9-12)16-13(18)10-7-8-10/h4-6,9-10H,7-8H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide?
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17204538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).