2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide

C16H26N2O2 — CID 43279744

IUPAC2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
SMILESCNC(C)CCc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-16(19)11-20-15-9-7-14(8-10-15)6-5-13(3)17-4/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyYHRINDIYYHOGIC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.13
Rot. Bonds8

About 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide

2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 43279744) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
PubChem CID43279744
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide
SMILESCNC(C)CCc1ccc(OCC(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)18-16(19)11-20-15-9-7-14(8-10-15)6-5-13(3)17-4/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,18,19)
InChIKeyYHRINDIYYHOGIC-UHFFFAOYSA-N
XLogP2.13
TPSA50.36 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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-methylpropylamino)methyl]phenoxy]-N-propan-2-ylacetamide
CID 63062886
2-[4-[(3E)-3-hydroxyiminobutyl]phenoxy]-N-propan-2-ylacetamide
CID 24708762
2-(4-bromophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 16552551
(2R)-4-(4-ethoxyphenyl)-N-methylbutan-2-amine
CID 93007407
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
2-[4-[(4-phenylbutan-2-ylamino)methyl]phenoxy]acetic acid
CID 17211434
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-(4-phenylbutan-2-yl)butanamide
CID 55944631
2-[4-[3-(ethylamino)butyl]phenoxy]-N-propylacetamide
CID 43279784
2-(4-nitrophenoxy)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2632338

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide (CID 43279744) is 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide is CNC(C)CCc1ccc(OCC(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is YHRINDIYYHOGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)18-16(19)11-20-15-9-7-14(8-10-15)6-5-13(3)17-4/h7-10,12-13,17H,5-6,11H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide?
2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 278.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(methylamino)butyl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 43279744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).