N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide

C15H20N2O2 — CID 17398040

IUPACN-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O2/c1-10(2)14(18)16-9-11-4-3-5-13(8-11)17-15(19)12-6-7-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQBWQFYILMFBCSU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.31
Rot. Bonds5

About N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide

N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide (PubChem CID 17398040) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
PubChem CID17398040
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
SMILESCC(C)C(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H20N2O2/c1-10(2)14(18)16-9-11-4-3-5-13(8-11)17-15(19)12-6-7-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQBWQFYILMFBCSU-UHFFFAOYSA-N
XLogP2.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[[(2R)-2-methylbutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 30291694
N-[3-[(2-methoxypropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 47303341
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 24571435
N-[3-[[(2-amino-3-methylpentanoyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119741621
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[3-[(2-aminopentanoylamino)methyl]phenyl]cyclopentanecarboxamide
CID 119299331
N-[3-[[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 25483945
N-[3-[[(2-amino-2-phenylacetyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 119299327
N-[3-[[(2-amino-3-methoxypropanoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydrochloride
CID 120985544
2-methyl-N-[[3-[(2-methylpropanoylamino)methyl]phenyl]methyl]propanamide
CID 4168870

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide (CID 17398040) is N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide is CC(C)C(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is QBWQFYILMFBCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)14(18)16-9-11-4-3-5-13(8-11)17-15(19)12-6-7-12/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide?
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 17398040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).