N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide

C17H28N2O2 — CID 43123138

IUPACN-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-7-13(4)18-17(20)14(5)19-15-8-10-16(11-9-15)21-12(2)3/h8-14,19H,6-7H2,1-5H3,(H,18,20)
InChIKeyQGLFGAIMOXFZIE-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.58
Rot. Bonds8

About N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide

N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide (PubChem CID 43123138) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
PubChem CID43123138
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide
SMILESCCCC(C)NC(=O)C(C)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C17H28N2O2/c1-6-7-13(4)18-17(20)14(5)19-15-8-10-16(11-9-15)21-12(2)3/h8-14,19H,6-7H2,1-5H3,(H,18,20)
InChIKeyQGLFGAIMOXFZIE-UHFFFAOYSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-2-[4-(difluoromethoxy)anilino]propanamide
CID 43244370
2-[4-(dimethylamino)anilino]-N-pentan-2-ylpropanamide
CID 43617104
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
2-amino-N-(4-propan-2-yloxyphenyl)pentanamide;hydrochloride
CID 119280465
2-(4-butan-2-yloxyanilino)-N-propylpropanamide
CID 3030788
methyl 3-(4-propan-2-yloxyanilino)butanoate
CID 43536837
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
2-(3-chloro-4-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43348095
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866
2-(3-cyanoanilino)-N-pentan-2-ylpropanamide
CID 43113543
N-butyl-2-(4-propoxyanilino)propanamide
CID 62329025

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide (CID 43123138) is N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide is CCCC(C)NC(=O)C(C)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide?
The InChIKey is QGLFGAIMOXFZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-6-7-13(4)18-17(20)14(5)19-15-8-10-16(11-9-15)21-12(2)3/h8-14,19H,6-7H2,1-5H3,(H,18,20).
What are the key properties of N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide?
N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide has a molecular weight of 292.42 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(4-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 43123138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).