N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide

C17H26N2O — CID 43460030

IUPACN-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(2)19(12-14-8-10-16(18)11-9-14)17(20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12,18H2,1-2H3
InChIKeyJLQQNFGVXIGPGE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.59
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide

N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide (PubChem CID 43460030) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
PubChem CID43460030
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)C1CCCCC1
InChIInChI=1S/C17H26N2O/c1-13(2)19(12-14-8-10-16(18)11-9-14)17(20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12,18H2,1-2H3
InChIKeyJLQQNFGVXIGPGE-UHFFFAOYSA-N
XLogP3.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.59
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-yloxane-3-carboxamide
CID 63010976
N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365705
[4-[[cyclohexanecarbonyl(propan-2-yl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4985494
N-[(4-aminophenyl)methyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
CID 62797970
methyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 43460059
N-[(4-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384017
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
[4-[[[(2S)-butan-2-yl]-(cyclopentanecarbonyl)amino]methyl]phenyl] ethanesulfonate
CID 7411990
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
4-N-benzyl-1-N-cyclohexyl-4-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113005494
2-amino-N-benzyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 64818125
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide (CID 43460030) is N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide is CC(C)N(Cc1ccc(N)cc1)C(=O)C1CCCCC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is JLQQNFGVXIGPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19(12-14-8-10-16(18)11-9-14)17(20)15-6-4-3-5-7-15/h8-11,13,15H,3-7,12,18H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide?
N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.59, 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-ylcyclohexanecarboxamide is sourced from PubChem (CID 43460030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).