N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide

C16H24N2O2 — CID 65157552

IUPACN-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCC1CCCO1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-18(14-6-3-5-13(17)12-14)16(19)9-8-15-7-4-11-20-15/h3,5-6,12,15H,2,4,7-11,17H2,1H3
InChIKeyUHUWKSQEJYHDLJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.97
Rot. Bonds6

About N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide

N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide (PubChem CID 65157552) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide
PubChem CID65157552
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CCC1CCCO1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-2-10-18(14-6-3-5-13(17)12-14)16(19)9-8-15-7-4-11-20-15/h3,5-6,12,15H,2,4,7-11,17H2,1H3
InChIKeyUHUWKSQEJYHDLJ-UHFFFAOYSA-N
XLogP2.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(3-hydroxyphenyl)-3-(oxan-2-yl)propanamide
CID 107736146
N-(4-aminophenyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152624
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
2-[(3-aminophenyl)methyl-[2-(oxolan-2-yl)ethyl]amino]acetamide
CID 65163169
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
N-butyl-N-methyl-3-(oxolan-2-yl)propanamide
CID 86929613
N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-ethyl-N-(3-methylphenyl)-3-[methylsulfonyl(oxolan-2-ylmethyl)amino]propanamide
CID 113138072

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide?
The IUPAC name of N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide (CID 65157552) is N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide.
What is the SMILES notation for N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide?
The canonical SMILES for N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide is CCCN(C(=O)CCC1CCCO1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide?
The InChIKey is UHUWKSQEJYHDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-10-18(14-6-3-5-13(17)12-14)16(19)9-8-15-7-4-11-20-15/h3,5-6,12,15H,2,4,7-11,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide?
N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-3-(oxolan-2-yl)-N-propylpropanamide is sourced from PubChem (CID 65157552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).