N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide

C15H22N2O — CID 114101897

IUPACN-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide
SMILESCCC1(CNC(=O)c2ccc(NC)c(C)c2)CC1
InChIInChI=1S/C15H22N2O/c1-4-15(7-8-15)10-17-14(18)12-5-6-13(16-3)11(2)9-12/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyMSBLCWPTUJPMOO-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.96
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide

N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide (PubChem CID 114101897) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide
PubChem CID114101897
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide
SMILESCCC1(CNC(=O)c2ccc(NC)c(C)c2)CC1
InChIInChI=1S/C15H22N2O/c1-4-15(7-8-15)10-17-14(18)12-5-6-13(16-3)11(2)9-12/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,18)
InChIKeyMSBLCWPTUJPMOO-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1-ethylcyclobutyl)methyl]-3-methylbenzamide
CID 114108124
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-fluoro-3-methylbenzamide
CID 115455995
2-bromo-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103755954
3-methyl-4-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106218202
3-chloro-N-[(1-ethylcyclopropyl)methyl]-4-nitrobenzamide
CID 103873302
2,6-dichloro-N-[(1-ethylcyclopropyl)methyl]pyridine-4-carboxamide
CID 103737223
4-amino-N-[(1-ethylcyclopentyl)methyl]benzamide;hydrochloride
CID 119812226
2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
CID 83214863
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-methyl-4-(methylamino)benzamide
CID 106280162
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide (CID 114101897) is N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide is CCC1(CNC(=O)c2ccc(NC)c(C)c2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide?
The InChIKey is MSBLCWPTUJPMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-15(7-8-15)10-17-14(18)12-5-6-13(16-3)11(2)9-12/h5-6,9,16H,4,7-8,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide?
N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide has a molecular weight of 246.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-3-methyl-4-(methylamino)benzamide is sourced from PubChem (CID 114101897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).