(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide

C14H22N2O3 — CID 93268119

IUPAC(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(OCC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-6-11(15)14(17)16-10-7-8-12(19-5-2)13(9-10)18-3/h7-9,11H,4-6,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyVMTSVTAXUACQEH-NSHDSACASA-N
MW266.34 g/mol
LogP2.16
Rot. Bonds7

About (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide

(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide (PubChem CID 93268119) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
PubChem CID93268119
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(OCC)c(OC)c1
InChIInChI=1S/C14H22N2O3/c1-4-6-11(15)14(17)16-10-7-8-12(19-5-2)13(9-10)18-3/h7-9,11H,4-6,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyVMTSVTAXUACQEH-NSHDSACASA-N
XLogP2.16
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
CID 103830950
(2R)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928800
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119688392
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119286170
2-chloro-N-(4-ethoxy-3-methoxyphenyl)propanamide
CID 43346919
2-amino-N-(3-ethoxy-4-methoxyphenyl)propanamide;hydrochloride
CID 119286172
2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pentanamide;hydrochloride
CID 119273235
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174
3-amino-N-(3-ethoxy-4-methoxyphenyl)-2-methylpropanamide
CID 55104746
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119286185

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide (CID 93268119) is (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide is CCC[C@H](N)C(=O)Nc1ccc(OCC)c(OC)c1.
What is the InChIKey of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide?
The InChIKey is VMTSVTAXUACQEH-NSHDSACASA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-6-11(15)14(17)16-10-7-8-12(19-5-2)13(9-10)18-3/h7-9,11H,4-6,15H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide?
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide has a molecular weight of 266.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide is sourced from PubChem (CID 93268119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).