N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C15H22N2O — CID 66477979

IUPACN-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCc2ccc(N)cc2)C1(C)C
InChIInChI=1S/C15H22N2O/c1-14(2)12(15(14,3)4)13(18)17-9-10-5-7-11(16)8-6-10/h5-8,12H,9,16H2,1-4H3,(H,17,18)
InChIKeyOPJMLFSORSGHMS-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.57
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 66477979) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID66477979
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCc2ccc(N)cc2)C1(C)C
InChIInChI=1S/C15H22N2O/c1-14(2)12(15(14,3)4)13(18)17-9-10-5-7-11(16)8-6-10/h5-8,12H,9,16H2,1-4H3,(H,17,18)
InChIKeyOPJMLFSORSGHMS-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(4-aminophenyl)methylamino]-2-oxoacetate
CID 86009834
N-[[3-(chloromethyl)phenyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 114302411
(4-aminophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66478608
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
3-[(4-aminophenyl)methylamino]-3-oxopropanoic acid
CID 110480209
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4-aminophenyl)methyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 116649982
cis-(1R,3S)-3-[(4-chlorophenyl)methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091534
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(2-chlorophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 44586596
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 66477979) is N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)NCc2ccc(N)cc2)C1(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is OPJMLFSORSGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-14(2)12(15(14,3)4)13(18)17-9-10-5-7-11(16)8-6-10/h5-8,12H,9,16H2,1-4H3,(H,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 66477979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).