(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide

C16H26N2O3 — CID 103830950

IUPAC(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-7-8-13(17)16(19)18-12-9-10-14(20-5-2)15(11-12)21-6-3/h9-11,13H,4-8,17H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyCRLBQFOSIJCNQK-ZDUSSCGKSA-N
MW294.40 g/mol
LogP2.94
Rot. Bonds9

About (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide

(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide (PubChem CID 103830950) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
PubChem CID103830950
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-7-8-13(17)16(19)18-12-9-10-14(20-5-2)15(11-12)21-6-3/h9-11,13H,4-8,17H2,1-3H3,(H,18,19)/t13-/m0/s1
InChIKeyCRLBQFOSIJCNQK-ZDUSSCGKSA-N
XLogP2.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247
(2S)-2-amino-N-(3-ethoxy-4-methoxyphenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119286170
5-amino-N-(3,4-diethoxyphenyl)-2-methylpentanamide
CID 104683468
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
N-(5-acetamido-2-methoxyphenyl)-2-aminohexanamide
CID 60853865
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
2-bromo-N-(3,4-diethoxyphenyl)butanamide
CID 62854269
N-(3,4-diethoxyphenyl)acetamide
CID 13120229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide (CID 103830950) is (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide is CCCC[C@H](N)C(=O)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide?
The InChIKey is CRLBQFOSIJCNQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-7-8-13(17)16(19)18-12-9-10-14(20-5-2)15(11-12)21-6-3/h9-11,13H,4-8,17H2,1-3H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide?
(2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide has a molecular weight of 294.40 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-diethoxyphenyl)hexanamide is sourced from PubChem (CID 103830950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).