N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide

C6H11NO3 — CID 139613282

IUPACN-(1-hydroxyethyl)-N-(3-oxopropyl)formamide
SMILESCC(O)N(C=O)CCC=O
InChIInChI=1S/C6H11NO3/c1-6(10)7(5-9)3-2-4-8/h4-6,10H,2-3H2,1H3
InChIKeyWCYPZJACTKZREG-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.63
Rot. Bonds5

About N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide

N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide (PubChem CID 139613282) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide.

Molecular Properties

Compound NameN-(1-hydroxyethyl)-N-(3-oxopropyl)formamide
PubChem CID139613282
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-(1-hydroxyethyl)-N-(3-oxopropyl)formamide
SMILESCC(O)N(C=O)CCC=O
InChIInChI=1S/C6H11NO3/c1-6(10)7(5-9)3-2-4-8/h4-6,10H,2-3H2,1H3
InChIKeyWCYPZJACTKZREG-UHFFFAOYSA-N
XLogP-0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-bis(2-hydroxyethyl)propanamide
CID 112269
N-(2-hydroxyethyl)-N-methylpropionamide
CID 19991879
1-(1-Hydroxyethyl)azetidin-2-one
CID 17767228
1-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 18602378
N-ethyl-N-(hydroxymethyl)propanamide
CID 18715922
N-ethyl-N-(2-hydroxyethyl)propanamide
CID 21424363
Methyl(3-oxopropyl)carbamic acid
CID 21928345
N-(3-hydroxypropyl)-N-methylpropanamide
CID 54322141
3-(Diethylamino)-3-hydroxypropanal
CID 57028592
N,N-bis(1-hydroxyethyl)propanamide
CID 57036689
3-[Hydroxymethyl(3-oxopropyl)amino]propanal
CID 58322009
N,N-bis(3-oxopropyl)formamide
CID 58370866

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide?
The IUPAC name of N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide (CID 139613282) is N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide.
What is the SMILES notation for N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide?
The canonical SMILES for N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide is CC(O)N(C=O)CCC=O.
What is the InChIKey of N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide?
The InChIKey is WCYPZJACTKZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(10)7(5-9)3-2-4-8/h4-6,10H,2-3H2,1H3.
What are the key properties of N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide?
N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide has a molecular weight of 145.16 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyethyl)-N-(3-oxopropyl)formamide is sourced from PubChem (CID 139613282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).