N-butyl-N-(3-hydroxypropyl)formamide

C8H17NO2 — CID 14461314

IUPACN-butyl-N-(3-hydroxypropyl)formamide
SMILESCCCCN(C=O)CCCO
InChIInChI=1S/C8H17NO2/c1-2-3-5-9(8-11)6-4-7-10/h8,10H,2-7H2,1H3
InChIKeyLUVBGNYTKNVZLA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.63
Rot. Bonds7

About N-butyl-N-(3-hydroxypropyl)formamide

N-butyl-N-(3-hydroxypropyl)formamide (PubChem CID 14461314) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is N-butyl-N-(3-hydroxypropyl)formamide.

Molecular Properties

Compound NameN-butyl-N-(3-hydroxypropyl)formamide
PubChem CID14461314
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC NameN-butyl-N-(3-hydroxypropyl)formamide
SMILESCCCCN(C=O)CCCO
InChIInChI=1S/C8H17NO2/c1-2-3-5-9(8-11)6-4-7-10/h8,10H,2-7H2,1H3
InChIKeyLUVBGNYTKNVZLA-UHFFFAOYSA-N
XLogP0.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Butyl(2-hydroxyethyl)formamide
CID 11389460
N-(3-hydroxypropyl)-N-methylacetamide
CID 14280024
N-(3-hydroxypropyl)-N-methylformamide
CID 54516038
N-(3-Hydroxypropyl)-N-pentylacetamide
CID 53439349
3-[Butyl(3-hydroxypropyl)amino]propan-1-ol
CID 15220046
N,N-dibutyl-3-hydroxypropanamide
CID 19735723
N,N-bis(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 19772478
N-ethyl-N-(3-hydroxypropyl)formamide
CID 19845153
N,N-Bis(3-hydroxypropyl)acetamide
CID 19967460
N-[3-(dimethylamino)propyl]-N-(3-hydroxypropyl)formamide
CID 20336899
3-[N'-formyl-N'-(3-hydroxypropyl)amino]-N,N,N-trimethyl-1-propanaminium chloride
CID 21316369
N,N-bis(4-hydroxybutyl)formamide
CID 21847804

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3-hydroxypropyl)formamide?
The IUPAC name of N-butyl-N-(3-hydroxypropyl)formamide (CID 14461314) is N-butyl-N-(3-hydroxypropyl)formamide.
What is the SMILES notation for N-butyl-N-(3-hydroxypropyl)formamide?
The canonical SMILES for N-butyl-N-(3-hydroxypropyl)formamide is CCCCN(C=O)CCCO.
What is the InChIKey of N-butyl-N-(3-hydroxypropyl)formamide?
The InChIKey is LUVBGNYTKNVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-5-9(8-11)6-4-7-10/h8,10H,2-7H2,1H3.
What are the key properties of N-butyl-N-(3-hydroxypropyl)formamide?
N-butyl-N-(3-hydroxypropyl)formamide has a molecular weight of 159.23 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3-hydroxypropyl)formamide is sourced from PubChem (CID 14461314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).