N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide

C9H17NO3 — CID 43419593

IUPACN-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCCO
InChIInChI=1S/C9H17NO3/c11-6-5-10-9(12)4-3-8-2-1-7-13-8/h8,11H,1-7H2,(H,10,12)
InChIKeyCVGYDPQPKUOBTR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds5

About N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide

N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide (PubChem CID 43419593) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
PubChem CID43419593
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCCO
InChIInChI=1S/C9H17NO3/c11-6-5-10-9(12)4-3-8-2-1-7-13-8/h8,11H,1-7H2,(H,10,12)
InChIKeyCVGYDPQPKUOBTR-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 103767595
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
N-[2-(2-hydroxyethoxy)ethyl]-3-(oxan-2-yl)propanamide
CID 63953367
N-[2-(cycloheptylamino)ethyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124572050
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
N-(2-hydroxyethyl)-2-(oxolan-2-ylmethylsulfanyl)acetamide
CID 103799843
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
N-(6-iodohexyl)-3-(oxan-2-yl)propanamide
CID 107848186

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide (CID 43419593) is N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is CVGYDPQPKUOBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c11-6-5-10-9(12)4-3-8-2-1-7-13-8/h8,11H,1-7H2,(H,10,12).
What are the key properties of N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide?
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 43419593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).