2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide

C15H22N2O — CID 106910392

IUPAC2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)NCc1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)16-9-12-4-6-13(7-5-12)17-15(18)14-8-11(14)3/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyCSTWDWVHAOVRMC-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.78
Rot. Bonds5

About 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide

2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide (PubChem CID 106910392) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
PubChem CID106910392
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide
SMILESCC(C)NCc1ccc(NC(=O)C2CC2C)cc1
InChIInChI=1S/C15H22N2O/c1-10(2)16-9-12-4-6-13(7-5-12)17-15(18)14-8-11(14)3/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18)
InChIKeyCSTWDWVHAOVRMC-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(chloromethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299958
N-[4-(2-chloroethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 114299297
N-[4-(1-hydroxyethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 43508348
N-[4-(1-aminoethyl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 16794453
2-methyl-N-[4-[1-(propylamino)ethyl]phenyl]cyclopropane-1-carboxamide
CID 43507733
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
N-[4-[(cyclopropylamino)methyl]phenyl]-2-methylcyclopentane-1-carboxamide
CID 107176074
1-ethyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopentane-1-carboxamide
CID 106910485
2-methyl-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 45352995
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide (CID 106910392) is 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide is CC(C)NCc1ccc(NC(=O)C2CC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide?
The InChIKey is CSTWDWVHAOVRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(2)16-9-12-4-6-13(7-5-12)17-15(18)14-8-11(14)3/h4-7,10-11,14,16H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide?
2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 106910392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).