N-(3-hydroxypropyl)-N-pentylacetamide

C10H21NO2 — CID 53439349

IUPACN-(3-hydroxypropyl)-N-pentylacetamide
SMILESCCCCCN(CCCO)C(C)=O
InChIInChI=1S/C10H21NO2/c1-3-4-5-7-11(10(2)13)8-6-9-12/h12H,3-9H2,1-2H3
InChIKeyCOHBRUYRUDTHIT-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.41
Rot. Bonds7

About N-(3-hydroxypropyl)-N-pentylacetamide

N-(3-hydroxypropyl)-N-pentylacetamide (PubChem CID 53439349) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-pentylacetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-pentylacetamide
PubChem CID53439349
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(3-hydroxypropyl)-N-pentylacetamide
SMILESCCCCCN(CCCO)C(C)=O
InChIInChI=1S/C10H21NO2/c1-3-4-5-7-11(10(2)13)8-6-9-12/h12H,3-9H2,1-2H3
InChIKeyCOHBRUYRUDTHIT-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-pentylacetamide?
The IUPAC name of N-(3-hydroxypropyl)-N-pentylacetamide (CID 53439349) is N-(3-hydroxypropyl)-N-pentylacetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-pentylacetamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-pentylacetamide is CCCCCN(CCCO)C(C)=O.
What is the InChIKey of N-(3-hydroxypropyl)-N-pentylacetamide?
The InChIKey is COHBRUYRUDTHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-7-11(10(2)13)8-6-9-12/h12H,3-9H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-pentylacetamide?
N-(3-hydroxypropyl)-N-pentylacetamide has a molecular weight of 187.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-pentylacetamide is sourced from PubChem (CID 53439349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).