6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide

C13H26N2O3 — CID 43573628

IUPAC6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide
SMILESCC(=O)NCCCCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C13H26N2O3/c1-11(2)15(9-10-16)13(18)7-5-4-6-8-14-12(3)17/h11,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyHSAAHGJISLJKBH-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.91
Rot. Bonds9

About 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide

6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide (PubChem CID 43573628) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide
PubChem CID43573628
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide
SMILESCC(=O)NCCCCCC(=O)N(CCO)C(C)C
InChIInChI=1S/C13H26N2O3/c1-11(2)15(9-10-16)13(18)7-5-4-6-8-14-12(3)17/h11,16H,4-10H2,1-3H3,(H,14,17)
InChIKeyHSAAHGJISLJKBH-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide 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

3-[6-acetamidohexanoyl(propan-2-yl)amino]propanoic acid
CID 60831935
ethyl 2-[6-acetamidohexanoyl(propan-2-yl)amino]acetate
CID 61022176
3-[3-acetamidopropanoyl(propan-2-yl)amino]propanoic acid
CID 60832281
2-[6-acetamidohexanoyl(methyl)amino]propanoic acid
CID 55096871
N-[3-[bis(2-hydroxyethyl)amino]propyl]acetamide
CID 143571898
N-(8-oxononyl)acetamide
CID 58114719
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
(E)-N,N-bis(4-acetamidobutyl)-15-methylhexadec-6-enamide
CID 145453486
N-[1-[2-[bis[2-[[2-[dodecanoyl(2-hydroxyethyl)amino]-3-methylbutanoyl]amino]ethyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-(2-hydroxyethyl)dodecanamide
CID 170099115
(2S)-2-[2-hydroxyethyl(tetradecanoyl)amino]propanoic acid
CID 54563283
6-acetamidohexanoic acid;methane
CID 163527023
N-[8-[hydroxy(methyl)amino]octyl]acetamide
CID 171589323

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide?
The IUPAC name of 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide (CID 43573628) is 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide.
What is the SMILES notation for 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide?
The canonical SMILES for 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide is CC(=O)NCCCCCC(=O)N(CCO)C(C)C.
What is the InChIKey of 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide?
The InChIKey is HSAAHGJISLJKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(2)15(9-10-16)13(18)7-5-4-6-8-14-12(3)17/h11,16H,4-10H2,1-3H3,(H,14,17).
What are the key properties of 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide?
6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide has a molecular weight of 258.36 g/mol, XLogP of 0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(2-hydroxyethyl)-N-propan-2-ylhexanamide is sourced from PubChem (CID 43573628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).