N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide

C17H26N2O2 — CID 64730380

IUPACN-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide
SMILESCC1CC(C)CC(OC(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-6,10-13,16H,7-9,18H2,1-3H3,(H,19,20)
InChIKeyQCTISPYGAXAEJB-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.44
Rot. Bonds4

About N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide

N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide (PubChem CID 64730380) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide
PubChem CID64730380
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide
SMILESCC1CC(C)CC(OC(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C17H26N2O2/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-6,10-13,16H,7-9,18H2,1-3H3,(H,19,20)
InChIKeyQCTISPYGAXAEJB-UHFFFAOYSA-N
XLogP3.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214
N-[3-[ethyl(methyl)amino]phenyl]-2-(3-methylcyclohexyl)oxypropanamide
CID 86960782
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
N-(3-aminophenyl)-2-(3-methylcyclohexyl)sulfinylpropanamide
CID 62722453
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-aminophenyl)-2-(2-iodophenoxy)propanamide
CID 43479667
N-[3-(aminomethyl)phenyl]-2-(2-methylcyclohexyl)oxypropanamide
CID 60725478
N-(3-aminophenyl)-2-(3,3,3-trifluoropropoxy)propanamide
CID 82954605
N-(3-aminophenyl)-2-[cycloheptyl(methyl)amino]propanamide
CID 43613799
N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide (CID 64730380) is N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide is CC1CC(C)CC(OC(C)C(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide?
The InChIKey is QCTISPYGAXAEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11-7-12(2)9-16(8-11)21-13(3)17(20)19-15-6-4-5-14(18)10-15/h4-6,10-13,16H,7-9,18H2,1-3H3,(H,19,20).
What are the key properties of N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide?
N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide has a molecular weight of 290.41 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3,5-dimethylcyclohexyl)oxypropanamide is sourced from PubChem (CID 64730380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).