N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide

C10H21NO3 — CID 112729251

IUPACN-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
SMILESCCCN(CCO)C(=O)CCCOC
InChIInChI=1S/C10H21NO3/c1-3-6-11(7-8-12)10(13)5-4-9-14-2/h12H,3-9H2,1-2H3
InChIKeyNKOYRPQVXAZNKV-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.64
Rot. Bonds8

About N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide

N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide (PubChem CID 112729251) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
PubChem CID112729251
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide
SMILESCCCN(CCO)C(=O)CCCOC
InChIInChI=1S/C10H21NO3/c1-3-6-11(7-8-12)10(13)5-4-9-14-2/h12H,3-9H2,1-2H3
InChIKeyNKOYRPQVXAZNKV-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-methoxybutanoyl(propyl)amino]acetate
CID 78927223
N-(2-hydroxyethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103857530
4-(4-bromophenoxy)-N-(2-hydroxyethyl)-N-propylbutanamide
CID 60655942
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
2-hydroxy-N-(2-methoxyethyl)-N-propylacetamide
CID 91014126
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
N,N-dipropylnonadecanamide
CID 12960009
N-(2-hydroxyethyl)-N-(2-methoxyethyl)hept-6-ynamide
CID 103915679
N-[2-(dimethylamino)ethyl]-5-hydroxy-N-propylpentanamide
CID 79209171
4-amino-N,N-dipropylbutanamide
CID 12835718
N',N'-bis(2-hydroxyethyl)-N,N-dimethylpentanediamide
CID 169291277
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide (CID 112729251) is N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide is CCCN(CCO)C(=O)CCCOC.
What is the InChIKey of N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide?
The InChIKey is NKOYRPQVXAZNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-6-11(7-8-12)10(13)5-4-9-14-2/h12H,3-9H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide?
N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide has a molecular weight of 203.28 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methoxy-N-propylbutanamide is sourced from PubChem (CID 112729251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).