N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide

C14H23NO3 — CID 18583921

IUPACN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C14H23NO3/c16-13(11-5-1-2-6-11)15-9-12-10-17-14(18-12)7-3-4-8-14/h11-12H,1-10H2,(H,15,16)
InChIKeyHGUJBFMWYRPCQL-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.98
Rot. Bonds3

About N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide

N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide (PubChem CID 18583921) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide
PubChem CID18583921
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide
SMILESO=C(NCC1COC2(CCCC2)O1)C1CCCC1
InChIInChI=1S/C14H23NO3/c16-13(11-5-1-2-6-11)15-9-12-10-17-14(18-12)7-3-4-8-14/h11-12H,1-10H2,(H,15,16)
InChIKeyHGUJBFMWYRPCQL-UHFFFAOYSA-N
XLogP1.98
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)cyclopentanecarboxamide
CID 18583791
N-(1,4-dioxaspiro[4.4]nonan-2-ylmethyl)cyclohexanecarboxamide
CID 18583948
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide
CID 7423492
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]cyclopentanecarboxamide
CID 7423493
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474688
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]cyclohexanecarboxamide
CID 51474689
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-methylpentanamide
CID 103525074
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-ethylhexanamide
CID 103762454
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]cyclohexanecarboxamide
CID 103762464
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylpentanamide
CID 103762481
2-cyclopentyl-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 103762520
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methylpentanamide
CID 103762580

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide (CID 18583921) is N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide is O=C(NCC1COC2(CCCC2)O1)C1CCCC1.
What is the InChIKey of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide?
The InChIKey is HGUJBFMWYRPCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-13(11-5-1-2-6-11)15-9-12-10-17-14(18-12)7-3-4-8-14/h11-12H,1-10H2,(H,15,16).
What are the key properties of N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide?
N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 18583921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).