3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide

C11H16ClNO3 — CID 61251673

IUPAC3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
SMILESO=C(CCCl)NCCCOCc1ccco1
InChIInChI=1S/C11H16ClNO3/c12-5-4-11(14)13-6-2-7-15-9-10-3-1-8-16-10/h1,3,8H,2,4-7,9H2,(H,13,14)
InChIKeyXCEZVXPRSQORBS-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.93
Rot. Bonds8

About 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide

3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide (PubChem CID 61251673) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
PubChem CID61251673
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
SMILESO=C(CCCl)NCCCOCc1ccco1
InChIInChI=1S/C11H16ClNO3/c12-5-4-11(14)13-6-2-7-15-9-10-3-1-8-16-10/h1,3,8H,2,4-7,9H2,(H,13,14)
InChIKeyXCEZVXPRSQORBS-UHFFFAOYSA-N
XLogP1.93
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
CID 87002587
2-(azetidin-3-yl)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 64611617
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
N-[3-(furan-2-ylmethoxy)propyl]-3-(5-phenylfuran-2-yl)propanamide
CID 51296872
2-(butan-2-ylamino)-N-[3-(furan-2-ylmethoxy)propyl]acetamide
CID 60719966
N-[3-(furan-2-ylmethoxy)propyl]-2-(N-methylanilino)acetamide
CID 86914416
2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
N-[3-(furan-2-ylmethoxy)propyl]-2-piperazin-1-ylacetamide
CID 61275324
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86914819
N-[3-(furan-2-ylmethoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 61364298
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-2,2-dimethylpropanamide
CID 113307628

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The IUPAC name of 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide (CID 61251673) is 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide.
What is the SMILES notation for 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The canonical SMILES for 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide is O=C(CCCl)NCCCOCc1ccco1.
What is the InChIKey of 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
The InChIKey is XCEZVXPRSQORBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c12-5-4-11(14)13-6-2-7-15-9-10-3-1-8-16-10/h1,3,8H,2,4-7,9H2,(H,13,14).
What are the key properties of 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide?
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide has a molecular weight of 245.71 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide is sourced from PubChem (CID 61251673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).