N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide

C18H26N2O — CID 61365705

IUPACN-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-12(2)20(11-13-4-7-16(19)8-5-13)18(21)17-10-14-3-6-15(17)9-14/h4-5,7-8,12,14-15,17H,3,6,9-11,19H2,1-2H3
InChIKeyASINCHZDSJFSLA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.44
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide

N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 61365705) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID61365705
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)C1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-12(2)20(11-13-4-7-16(19)8-5-13)18(21)17-10-14-3-6-15(17)9-14/h4-5,7-8,12,14-15,17H,3,6,9-11,19H2,1-2H3
InChIKeyASINCHZDSJFSLA-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
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

N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 43460030
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976
ethyl 2-[bicyclo[2.2.1]heptane-2-carbonyl(propan-2-yl)amino]acetate
CID 54896586
N-[(4-aminophenyl)methyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
CID 62797970
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363949
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
methyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 43460059
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
cis-(1S,2R)-2-[benzyl(propan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320338
N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 75853875
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide (CID 61365705) is N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide is CC(C)N(Cc1ccc(N)cc1)C(=O)C1CC2CCC1C2.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ASINCHZDSJFSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12(2)20(11-13-4-7-16(19)8-5-13)18(21)17-10-14-3-6-15(17)9-14/h4-5,7-8,12,14-15,17H,3,6,9-11,19H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide?
N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 61365705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).