N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide

C15H22N2O — CID 107000282

IUPACN-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C(=O)C1CC1(C)C)c1ccccc1N
InChIInChI=1S/C15H22N2O/c1-4-9-17(13-8-6-5-7-12(13)16)14(18)11-10-15(11,2)3/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyONULBLDCJYJIJP-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.06
Rot. Bonds4

About N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide

N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide (PubChem CID 107000282) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
PubChem CID107000282
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
SMILESCCCN(C(=O)C1CC1(C)C)c1ccccc1N
InChIInChI=1S/C15H22N2O/c1-4-9-17(13-8-6-5-7-12(13)16)14(18)11-10-15(11,2)3/h5-8,11H,4,9-10,16H2,1-3H3
InChIKeyONULBLDCJYJIJP-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-N-propyloxolane-2-carboxamide
CID 63230184
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394
1-(2-aminophenyl)-3,3-diethyl-1-propylurea
CID 79154664
2-methylpropyl N-(2-aminophenyl)-N-propylcarbamate
CID 55173815
N-(2-aminophenyl)-3-ethyl-N-propylthiophene-2-carboxamide
CID 79985121
N-(2-aminophenyl)-4,5-dimethyl-N-propylthiophene-2-carboxamide
CID 65237112
N-(2-aminophenyl)-N-propylfuran-2-carboxamide
CID 63230481
1-(2-aminophenyl)-3-benzyl-1-propylurea
CID 107653018
N-(2-aminophenyl)-N-propylpyridine-2-carboxamide
CID 63230351
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
N-(2-aminophenyl)-2-(4-fluorophenyl)-N-propylacetamide
CID 63230441

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide (CID 107000282) is N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide is CCCN(C(=O)C1CC1(C)C)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide?
The InChIKey is ONULBLDCJYJIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-9-17(13-8-6-5-7-12(13)16)14(18)11-10-15(11,2)3/h5-8,11H,4,9-10,16H2,1-3H3.
What are the key properties of N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide?
N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide is sourced from PubChem (CID 107000282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).