(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide

C14H21N3O3 — CID 155190029

IUPAC(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide
SMILESCNC(=O)Cc1cccc(OC[C@@H](N)CCC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-17-14(19)8-10-3-2-4-12(7-10)20-9-11(15)5-6-13(16)18/h2-4,7,11H,5-6,8-9,15H2,1H3,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeyHWNIVTBZNMUWIE-NSHDSACASA-N
MW279.34 g/mol
LogP-0.05
Rot. Bonds8

About (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide

(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide (PubChem CID 155190029) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide
PubChem CID155190029
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide
SMILESCNC(=O)Cc1cccc(OC[C@@H](N)CCC(N)=O)c1
InChIInChI=1S/C14H21N3O3/c1-17-14(19)8-10-3-2-4-12(7-10)20-9-11(15)5-6-13(16)18/h2-4,7,11H,5-6,8-9,15H2,1H3,(H2,16,18)(H,17,19)/t11-/m0/s1
InChIKeyHWNIVTBZNMUWIE-NSHDSACASA-N
XLogP-0.05
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]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

4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
CID 155707554
4-amino-5-[2-chloro-3-[5-(methylamino)-5-oxopentyl]phenoxy]pentanamide
CID 155706657
3-[3-(2-aminobutyl)phenoxy]-N-methylpropanamide
CID 62325770
3-[3-(aminomethyl)phenoxy]-N-methylpropanamide
CID 62324722
(4S)-5-(3-bromophenoxy)-4-methylpentanamide
CID 167563643
4-[3-(aminomethyl)phenoxy]-N-methylbutanamide
CID 63892226
3-(3-ethylphenoxy)-N-methylpropanamide
CID 64763281
4-(3-ethylphenoxy)butanamide
CID 82040637
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
2-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 170769259

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide?
The IUPAC name of (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide (CID 155190029) is (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide.
What is the SMILES notation for (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide?
The canonical SMILES for (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide is CNC(=O)Cc1cccc(OC[C@@H](N)CCC(N)=O)c1.
What is the InChIKey of (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide?
The InChIKey is HWNIVTBZNMUWIE-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17-14(19)8-10-3-2-4-12(7-10)20-9-11(15)5-6-13(16)18/h2-4,7,11H,5-6,8-9,15H2,1H3,(H2,16,18)(H,17,19)/t11-/m0/s1.
What are the key properties of (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide?
(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide has a molecular weight of 279.34 g/mol, XLogP of -0.05, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide is sourced from PubChem (CID 155190029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).