N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide

C14H20N2O — CID 117059853

IUPACN-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC2)ccc1N(C)C
InChIInChI=1S/C14H20N2O/c1-10-9-11(5-6-12(10)16(3)4)15-13(17)14(2)7-8-14/h5-6,9H,7-8H2,1-4H3,(H,15,17)
InChIKeyCFAQUQGLGWGQNE-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.80
Rot. Bonds3

About N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide

N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 117059853) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID117059853
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCc1cc(NC(=O)C2(C)CC2)ccc1N(C)C
InChIInChI=1S/C14H20N2O/c1-10-9-11(5-6-12(10)16(3)4)15-13(17)14(2)7-8-14/h5-6,9H,7-8H2,1-4H3,(H,15,17)
InChIKeyCFAQUQGLGWGQNE-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(dimethylamino)-3-methylphenyl]-4-(4-fluorophenyl)oxane-4-carboxamide
CID 60582638
N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 169204570
1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
CID 117059920
1-[4-(dimethylamino)-3-methylphenyl]-3-(2-hydroxyethyl)urea
CID 110894213
N-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide
CID 130162731
1-N-[4-(dimethylamino)phenyl]-1-N'-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981425
1-cyclopropyl-3-[4-(dimethylamino)-3-methylphenyl]-1-(2-hydroxyethyl)urea
CID 110891304
1-amino-N-[3-chloro-4-(dimethylamino)phenyl]cyclobutane-1-carboxamide
CID 81171852
N-(3-acetamido-4-methylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121630
ethane;1-N,1-N,4-N,2-tetramethylbenzene-1,4-diamine
CID 143018944
N-[4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]-1-methylcyclopropane-1-carboxamide
CID 59900326
1-(2-cyclopentylethyl)-3-[4-(dimethylamino)-3-methylphenyl]urea
CID 78877830

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide (CID 117059853) is N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide is Cc1cc(NC(=O)C2(C)CC2)ccc1N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is CFAQUQGLGWGQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-9-11(5-6-12(10)16(3)4)15-13(17)14(2)7-8-14/h5-6,9H,7-8H2,1-4H3,(H,15,17).
What are the key properties of N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide?
N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 117059853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).