N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide

C9H19NO3 — CID 79543922

IUPACN-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
SMILESCOCCCC(=O)N(C)CC(C)O
InChIInChI=1S/C9H19NO3/c1-8(11)7-10(2)9(12)5-4-6-13-3/h8,11H,4-7H2,1-3H3
InChIKeyCSEFBWNIXJUSTH-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.25
Rot. Bonds6

About N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide

N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide (PubChem CID 79543922) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
PubChem CID79543922
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide
SMILESCOCCCC(=O)N(C)CC(C)O
InChIInChI=1S/C9H19NO3/c1-8(11)7-10(2)9(12)5-4-6-13-3/h8,11H,4-7H2,1-3H3
InChIKeyCSEFBWNIXJUSTH-UHFFFAOYSA-N
XLogP0.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.25
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

3-[5-methoxypentanoyl(methyl)amino]-2-methylpropanoic acid
CID 115731246
5-hydroxy-N-(2-hydroxypropyl)-N-methylpentanamide
CID 79199467
N-(2-methoxyethyl)-N-methyl-4-propan-2-yloxybutanamide
CID 167520317
4-(2-ethoxyphenoxy)-N-[(2S)-2-hydroxypropyl]-N-methylbutanamide
CID 95971990
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 62334150
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N-(2-hydroxypropyl)-N-methyl-3-sulfanylpropanamide
CID 107028266
N,N,N',N'-tetrakis(2-hydroxypropyl)pentanediamide
CID 166071736
3-[3-(2-methoxyethoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228574
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
N-(2-hydroxy-3-methoxypropyl)-N-methylhept-6-ynamide
CID 103908940

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide?
The IUPAC name of N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide (CID 79543922) is N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide.
What is the SMILES notation for N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide?
The canonical SMILES for N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide is COCCCC(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide?
The InChIKey is CSEFBWNIXJUSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-8(11)7-10(2)9(12)5-4-6-13-3/h8,11H,4-7H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide?
N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide has a molecular weight of 189.25 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-4-methoxy-N-methylbutanamide is sourced from PubChem (CID 79543922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).