(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide

C14H21N3O3 — CID 107568581

IUPAC(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(NC(=O)COC)cc1
InChIInChI=1S/C14H21N3O3/c1-3-4-12(15)14(19)17-11-7-5-10(6-8-11)16-13(18)9-20-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyQTQFBXTWLAOYTG-LBPRGKRZSA-N
MW279.34 g/mol
LogP1.34
Rot. Bonds7

About (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide

(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide (PubChem CID 107568581) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
PubChem CID107568581
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(NC(=O)COC)cc1
InChIInChI=1S/C14H21N3O3/c1-3-4-12(15)14(19)17-11-7-5-10(6-8-11)16-13(18)9-20-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyQTQFBXTWLAOYTG-LBPRGKRZSA-N
XLogP1.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]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)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-[4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119289402
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylbutanamide
CID 42948482
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
propyl 4-[[(2R)-2-aminopentanoyl]amino]benzoate
CID 103793905
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
acetic acid;(2S,3S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylpentanamide
CID 154915033
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide (CID 107568581) is (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(NC(=O)COC)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide?
The InChIKey is QTQFBXTWLAOYTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-12(15)14(19)17-11-7-5-10(6-8-11)16-13(18)9-20-2/h5-8,12H,3-4,9,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide?
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide has a molecular weight of 279.34 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide is sourced from PubChem (CID 107568581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).