4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide

C19H32N2O2 — CID 120563941

IUPAC4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide
SMILESCCCOc1ccccc1C(CC(C)C)NC(=O)CCC(C)N
InChIInChI=1S/C19H32N2O2/c1-5-12-23-18-9-7-6-8-16(18)17(13-14(2)3)21-19(22)11-10-15(4)20/h6-9,14-15,17H,5,10-13,20H2,1-4H3,(H,21,22)
InChIKeyRWWWLTXQJVDZER-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.81
Rot. Bonds10

About 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide

4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide (PubChem CID 120563941) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide
PubChem CID120563941
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide
SMILESCCCOc1ccccc1C(CC(C)C)NC(=O)CCC(C)N
InChIInChI=1S/C19H32N2O2/c1-5-12-23-18-9-7-6-8-16(18)17(13-14(2)3)21-19(22)11-10-15(4)20/h6-9,14-15,17H,5,10-13,20H2,1-4H3,(H,21,22)
InChIKeyRWWWLTXQJVDZER-UHFFFAOYSA-N
XLogP3.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide 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

(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-(2-propoxyphenyl)butyl]oxolane-2-carboxamide
CID 120796178
3-methyl-1-(2-propoxyphenyl)-N-propylbutan-1-amine
CID 104659884
N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide
CID 119812335
4-[[3-methyl-1-(2-propoxyphenyl)butyl]amino]cyclohexane-1-carboxylic acid
CID 122031839
(2S)-2-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]propanamide
CID 119342540
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
3-[2-[(1R)-1-aminoethyl]phenoxy]-N-ethylpropanamide
CID 63367057
3-[2-[(1S)-1-aminoethyl]phenoxy]-N-methylpropanamide
CID 78936451
3-amino-N-[1-(2-methoxyphenyl)-3-methylbutyl]-2-methylbutanamide
CID 120502168
2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
3-methyl-2-(2-propoxyphenyl)butanoic acid
CID 104662401
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide?
The IUPAC name of 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide (CID 120563941) is 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide is CCCOc1ccccc1C(CC(C)C)NC(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide?
The InChIKey is RWWWLTXQJVDZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-12-23-18-9-7-6-8-16(18)17(13-14(2)3)21-19(22)11-10-15(4)20/h6-9,14-15,17H,5,10-13,20H2,1-4H3,(H,21,22).
What are the key properties of 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide?
4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide has a molecular weight of 320.48 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-methyl-1-(2-propoxyphenyl)butyl]pentanamide is sourced from PubChem (CID 120563941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).