2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide

C16H26N2O2 — CID 106006140

IUPAC2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
SMILESCC(C)OCCCCNC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-10-5-4-9-18-16(19)13(3)14-7-6-8-15(17)11-14/h6-8,11-13H,4-5,9-10,17H2,1-3H3,(H,18,19)
InChIKeyNOCSPWACSCVMBG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.69
Rot. Bonds8

About 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide

2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide (PubChem CID 106006140) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
PubChem CID106006140
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
SMILESCC(C)OCCCCNC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-12(2)20-10-5-4-9-18-16(19)13(3)14-7-6-8-15(17)11-14/h6-8,11-13H,4-5,9-10,17H2,1-3H3,(H,18,19)
InChIKeyNOCSPWACSCVMBG-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006137
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
2-(3-aminophenyl)-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 106591770
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 106591189
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide (CID 106006140) is 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide is CC(C)OCCCCNC(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
The InChIKey is NOCSPWACSCVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)20-10-5-4-9-18-16(19)13(3)14-7-6-8-15(17)11-14/h6-8,11-13H,4-5,9-10,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide is sourced from PubChem (CID 106006140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).