2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide

C14H28N2O4 — CID 57280525

IUPAC2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCO)C(C)(O)NC(C)=O
InChIInChI=1S/C14H28N2O4/c1-5-7-14(8-6-2,12(19)15-9-10-17)13(4,20)16-11(3)18/h17,20H,5-10H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyDWWPAWYKKINIPG-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.53
Rot. Bonds9

About 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide

2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide (PubChem CID 57280525) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
PubChem CID57280525
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NCCO)C(C)(O)NC(C)=O
InChIInChI=1S/C14H28N2O4/c1-5-7-14(8-6-2,12(19)15-9-10-17)13(4,20)16-11(3)18/h17,20H,5-10H2,1-4H3,(H,15,19)(H,16,18)
InChIKeyDWWPAWYKKINIPG-UHFFFAOYSA-N
XLogP0.53
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2-hydroxy-N-(2-hydroxyethyl)-2-methylpropanamide
CID 21330073
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
N-(1-hydroxy-2-methylpentan-2-yl)acetamide
CID 131204688
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2-chloro-N-(2-hydroxyethyl)-2-methylbutanamide
CID 134337619
N-(6-methyl-6-propylnonyl)acetamide
CID 138647362
N-(2-hydroxyethyl)-2,2,4,4-tetramethyl-5-oxohexanamide
CID 166130930
N-(2-acetamidoethyl)-2-butyl-2-methyloctanamide
CID 166929446
4-hydroxy-N-(3-hydroxypropyl)-2,2-dimethylbutanamide
CID 176553127
N-(2,4,4-trimethylheptan-2-yl)acetamide
CID 170293406
2-methylpentan-2-yl N-(3-hydroxypropyl)carbamate
CID 155665020

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The IUPAC name of 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide (CID 57280525) is 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide.
What is the SMILES notation for 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The canonical SMILES for 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide is CCCC(CCC)(C(=O)NCCO)C(C)(O)NC(C)=O.
What is the InChIKey of 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
The InChIKey is DWWPAWYKKINIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-7-14(8-6-2,12(19)15-9-10-17)13(4,20)16-11(3)18/h17,20H,5-10H2,1-4H3,(H,15,19)(H,16,18).
What are the key properties of 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide?
2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide has a molecular weight of 288.39 g/mol, XLogP of 0.53, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetamido-1-hydroxyethyl)-N-(2-hydroxyethyl)-2-propylpentanamide is sourced from PubChem (CID 57280525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).