N-ethyl-N-(3-hydroxypropyl)formamide

C6H13NO2 — CID 19845153

IUPACN-ethyl-N-(3-hydroxypropyl)formamide
SMILESCCN(C=O)CCCO
InChIInChI=1S/C6H13NO2/c1-2-7(6-9)4-3-5-8/h6,8H,2-5H2,1H3
InChIKeyGVRQUTUTQYBVOS-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.15
Rot. Bonds5

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

N-ethyl-N-(3-hydroxypropyl)formamide (PubChem CID 19845153) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)formamide
PubChem CID19845153
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-ethyl-N-(3-hydroxypropyl)formamide
SMILESCCN(C=O)CCCO
InChIInChI=1S/C6H13NO2/c1-2-7(6-9)4-3-5-8/h6,8H,2-5H2,1H3
InChIKeyGVRQUTUTQYBVOS-UHFFFAOYSA-N
XLogP-0.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.15
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

N-Ethyl-N-(1-hydroxyethyl)formamide
CID 20086843
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
Butyl(2-hydroxyethyl)formamide
CID 11389460
N-(hydroxymethyl)-N-propylformamide
CID 13163679
N-(3-hydroxypropyl)-N-methylacetamide
CID 14280024
N-Formyl-N-methylaminoethanol
CID 20551264
N-(3-hydroxypropyl)-N-methylformamide
CID 54516038
N-formyl-N-(3-hydroxypropyl)formamide
CID 46916279
N-(2-hydroxyethyl)-N-propylformamide
CID 12591460
N,N-Diethyl-3-hydroxypropanamide
CID 13088419
N-butyl-N-(3-hydroxypropyl)formamide
CID 14461314
3-Hydroxypropyl(methyl)carbamic acid
CID 17930458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)formamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)formamide (CID 19845153) is N-ethyl-N-(3-hydroxypropyl)formamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)formamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)formamide is CCN(C=O)CCCO.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)formamide?
The InChIKey is GVRQUTUTQYBVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-7(6-9)4-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)formamide?
N-ethyl-N-(3-hydroxypropyl)formamide has a molecular weight of 131.18 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)formamide is sourced from PubChem (CID 19845153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).