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

C16H26N2O2 — CID 106006137

IUPAC3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
SMILESCC(C)OCCCCNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-11-4-3-10-18-16(19)9-8-14-6-5-7-15(17)12-14/h5-7,12-13H,3-4,8-11,17H2,1-2H3,(H,18,19)
InChIKeyWPKSLDNUGXPABL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds9

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

3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide (PubChem CID 106006137) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
PubChem CID106006137
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
SMILESCC(C)OCCCCNC(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H26N2O2/c1-13(2)20-11-4-3-10-18-16(19)9-8-14-6-5-7-15(17)12-14/h5-7,12-13H,3-4,8-11,17H2,1-2H3,(H,18,19)
InChIKeyWPKSLDNUGXPABL-UHFFFAOYSA-N
XLogP2.52
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
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

3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
CID 82950103
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
2-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide
CID 106006140
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
3-(3-fluorophenyl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418848
3-[2-(3-propan-2-yloxypropylamino)ethyl]aniline
CID 82257317
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-aminophenyl)-N-(2,2-diethoxyethyl)propanamide
CID 115341572
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide (CID 106006137) is 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide is CC(C)OCCCCNC(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
The InChIKey is WPKSLDNUGXPABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13(2)20-11-4-3-10-18-16(19)9-8-14-6-5-7-15(17)12-14/h5-7,12-13H,3-4,8-11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide?
3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(4-propan-2-yloxybutyl)propanamide is sourced from PubChem (CID 106006137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).