(2S)-2-acetamido-N-(2-hexyldecyl)propanamide

C21H42N2O2 — CID 156690178

IUPAC(2S)-2-acetamido-N-(2-hexyldecyl)propanamide
SMILESCCCCCCCCC(CCCCCC)CNC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C21H42N2O2/c1-5-7-9-11-12-14-16-20(15-13-10-8-6-2)17-22-21(25)18(3)23-19(4)24/h18,20H,5-17H2,1-4H3,(H,22,25)(H,23,24)/t18-,20?/m0/s1
InChIKeyYPKOMODZKVTKHC-LROBGIAVSA-N
MW354.58 g/mol
LogP4.96
Rot. Bonds16

About (2S)-2-acetamido-N-(2-hexyldecyl)propanamide

(2S)-2-acetamido-N-(2-hexyldecyl)propanamide (PubChem CID 156690178) has the molecular formula C21H42N2O2 and a molecular weight of 354.58 g/mol. Its IUPAC name is (2S)-2-acetamido-N-(2-hexyldecyl)propanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-N-(2-hexyldecyl)propanamide
PubChem CID156690178
Molecular FormulaC21H42N2O2
Molecular Weight354.58 g/mol
Exact Mass354.32
IUPAC Name(2S)-2-acetamido-N-(2-hexyldecyl)propanamide
SMILESCCCCCCCCC(CCCCCC)CNC(=O)[C@H](C)NC(C)=O
InChIInChI=1S/C21H42N2O2/c1-5-7-9-11-12-14-16-20(15-13-10-8-6-2)17-22-21(25)18(3)23-19(4)24/h18,20H,5-17H2,1-4H3,(H,22,25)(H,23,24)/t18-,20?/m0/s1
InChIKeyYPKOMODZKVTKHC-LROBGIAVSA-N
XLogP4.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.58
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S)-2-acetamido-N-(2-hexyldecyl)propanamide 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-acetamido-N-(2-ethylhexyl)propanamide
CID 156690182
(2S)-2-acetamido-N-[(2S)-1-(2-ethylhexylamino)-1-oxopropan-2-yl]propanamide
CID 142590934
2-acetamido-N-(2-hydroxypropyl)propanamide
CID 43392742
2-acetamido-N-(4-methylpentyl)propanamide
CID 134023295
N-(2-bromododecyl)acetamide
CID 87944717
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
2-(2-acetamidopropanoylamino)hexanoic acid
CID 43469646
N-[(2S)-2-hydroxyheptyl]acetamide
CID 11686981
N-pentadecan-4-ylacetamide
CID 87419548
3-(3-acetamidopropyl)undecanoic acid
CID 21259482
2-acetamidotetracosanoic acid
CID 13224380
N-(2-bromoheptyl)acetamide
CID 174351305

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-(2-hexyldecyl)propanamide?
The IUPAC name of (2S)-2-acetamido-N-(2-hexyldecyl)propanamide (CID 156690178) is (2S)-2-acetamido-N-(2-hexyldecyl)propanamide.
What is the SMILES notation for (2S)-2-acetamido-N-(2-hexyldecyl)propanamide?
The canonical SMILES for (2S)-2-acetamido-N-(2-hexyldecyl)propanamide is CCCCCCCCC(CCCCCC)CNC(=O)[C@H](C)NC(C)=O.
What is the InChIKey of (2S)-2-acetamido-N-(2-hexyldecyl)propanamide?
The InChIKey is YPKOMODZKVTKHC-LROBGIAVSA-N. The full InChI is InChI=1S/C21H42N2O2/c1-5-7-9-11-12-14-16-20(15-13-10-8-6-2)17-22-21(25)18(3)23-19(4)24/h18,20H,5-17H2,1-4H3,(H,22,25)(H,23,24)/t18-,20?/m0/s1.
What are the key properties of (2S)-2-acetamido-N-(2-hexyldecyl)propanamide?
(2S)-2-acetamido-N-(2-hexyldecyl)propanamide has a molecular weight of 354.58 g/mol, XLogP of 4.96, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-(2-hexyldecyl)propanamide is sourced from PubChem (CID 156690178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).