N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide

C18H20N2O — CID 106910927

IUPACN-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C18H20N2O/c1-13-4-2-6-15(10-13)18(21)20-17-7-3-5-14(11-17)12-19-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyGYEYWUHBHJHQQT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.50
Rot. Bonds5

About N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide

N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide (PubChem CID 106910927) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
PubChem CID106910927
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(CNC3CC3)c2)c1
InChIInChI=1S/C18H20N2O/c1-13-4-2-6-15(10-13)18(21)20-17-7-3-5-14(11-17)12-19-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H,20,21)
InChIKeyGYEYWUHBHJHQQT-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888
N-[(3-methylphenyl)methyl]cyclopropanamine
CID 16776498
3-methyl-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]benzamide
CID 108934541
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
CID 106911597
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-[4-[[2-(cyclohexylamino)acetyl]amino]phenyl]-3-methylbenzamide
CID 54816361
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
N-(3-acetamidophenyl)-3-methylbenzamide
CID 766081
1-N-cyclopropyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109043347

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide (CID 106910927) is N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(CNC3CC3)c2)c1.
What is the InChIKey of N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide?
The InChIKey is GYEYWUHBHJHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-4-2-6-15(10-13)18(21)20-17-7-3-5-14(11-17)12-19-16-8-9-16/h2-7,10-11,16,19H,8-9,12H2,1H3,(H,20,21).
What are the key properties of N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide?
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide has a molecular weight of 280.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 106910927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).