N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide

C15H29NO2 — CID 113227391

IUPACN-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
SMILESCCCOCC(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C15H29NO2/c1-4-11-18-12-15(17)16(10-9-13(2)3)14-7-5-6-8-14/h13-14H,4-12H2,1-3H3
InChIKeyORIPQLOEBPNXIQ-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.23
Rot. Bonds8

About N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide

N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide (PubChem CID 113227391) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
PubChem CID113227391
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC NameN-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide
SMILESCCCOCC(=O)N(CCC(C)C)C1CCCC1
InChIInChI=1S/C15H29NO2/c1-4-11-18-12-15(17)16(10-9-13(2)3)14-7-5-6-8-14/h13-14H,4-12H2,1-3H3
InChIKeyORIPQLOEBPNXIQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[cyclopropyl-(2-propoxyacetyl)amino]propanoic acid
CID 115730536
(2R)-2-amino-N-cyclopentyl-N-(3-methylbutyl)pentanamide
CID 103795443
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxyacetamide
CID 80659612
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-propoxyacetamide
CID 107940599
N-cyclopropyl-N-(3-methylbutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604340
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
(2S)-2-amino-N-cyclopentyl-N-(3-methylbutyl)hexanamide
CID 103831497
2-(2-aminoethoxy)-N-cyclopentyl-N-ethylacetamide
CID 79473978
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
2-amino-N-cyclopentyl-3-methoxy-N-(3-methylbutyl)propanamide
CID 81101488
N-(2-bromoethyl)-N-cyclohexyl-4-methylpentanamide
CID 80658610
ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
CID 83049195

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide?
The IUPAC name of N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide (CID 113227391) is N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide.
What is the SMILES notation for N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide?
The canonical SMILES for N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide is CCCOCC(=O)N(CCC(C)C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide?
The InChIKey is ORIPQLOEBPNXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-11-18-12-15(17)16(10-9-13(2)3)14-7-5-6-8-14/h13-14H,4-12H2,1-3H3.
What are the key properties of N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide?
N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide has a molecular weight of 255.40 g/mol, XLogP of 3.23, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(3-methylbutyl)-2-propoxyacetamide is sourced from PubChem (CID 113227391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).