N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide

C13H18N2O — CID 28620650

IUPACN-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H18N2O/c1-9(2)14-11-4-3-5-12(8-11)15-13(16)10-6-7-10/h3-5,8-10,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyKKQILWOFHANENR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.86
Rot. Bonds4

About N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide

N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide (PubChem CID 28620650) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
PubChem CID28620650
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide
SMILESCC(C)Nc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C13H18N2O/c1-9(2)14-11-4-3-5-12(8-11)15-13(16)10-6-7-10/h3-5,8-10,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyKKQILWOFHANENR-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-acetamidophenyl)cyclobutanecarboxamide
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N-[3-[[(2S)-2-aminopropanoyl]amino]phenyl]cyclopropanecarboxamide
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CID 95352627
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 60999470
4-fluoro-N-[3-[(4-fluorocyclohexanecarbonyl)amino]phenyl]cyclohexane-1-carboxamide
CID 171577056
N-[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide (CID 28620650) is N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide is CC(C)Nc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is KKQILWOFHANENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)14-11-4-3-5-12(8-11)15-13(16)10-6-7-10/h3-5,8-10,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide?
N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(propan-2-ylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 28620650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).