2-cyano-N-(3-propoxypropyl)-2-propylpentanamide

C15H28N2O2 — CID 82941499

IUPAC2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
SMILESCCCOCCCNC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C15H28N2O2/c1-4-8-15(13-16,9-5-2)14(18)17-10-7-12-19-11-6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyVGXRKOGVMNNNIM-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.03
Rot. Bonds11

About 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide

2-cyano-N-(3-propoxypropyl)-2-propylpentanamide (PubChem CID 82941499) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
PubChem CID82941499
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-cyano-N-(3-propoxypropyl)-2-propylpentanamide
SMILESCCCOCCCNC(=O)C(C#N)(CCC)CCC
InChIInChI=1S/C15H28N2O2/c1-4-8-15(13-16,9-5-2)14(18)17-10-7-12-19-11-6-3/h4-12H2,1-3H3,(H,17,18)
InChIKeyVGXRKOGVMNNNIM-UHFFFAOYSA-N
XLogP3.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-cyano-2-propylpentanoyl)amino]ethyl carbamate
CID 83210197
2-cyano-N-(5-hydroxy-4-methylpentyl)-2-propylpentanamide
CID 106161676
2-(N'-hydroxycarbamimidoyl)-N-(3-propoxypropyl)-2-propylpentanamide
CID 82942363
2-cyano-N-(2-methoxy-2-methylpropyl)-2-propylpentanamide
CID 113450294
N-[2-(tert-butylamino)-2-oxoethyl]-2-cyano-2-propylpentanamide
CID 115356267
2-cyano-2-propyl-N-(2-prop-2-ynylsulfanylethyl)pentanamide
CID 114187651
tert-butyl N-[3-(2-propoxyethoxy)propyl]carbamate
CID 161198588
tert-butyl N-[3-(3-propoxypropoxy)propyl]carbamate
CID 170396360
2-cyano-2-ethyl-N-(4-hydroxybutyl)butanamide
CID 106842209
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
3-amino-3-hydroxyimino-2,2-dimethyl-N-(3-propoxypropyl)propanamide
CID 82944389
2-cyano-N',N'-dimethyl-2-propylpentanehydrazide
CID 83016357

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide?
The IUPAC name of 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide (CID 82941499) is 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide.
What is the SMILES notation for 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide?
The canonical SMILES for 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide is CCCOCCCNC(=O)C(C#N)(CCC)CCC.
What is the InChIKey of 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide?
The InChIKey is VGXRKOGVMNNNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-8-15(13-16,9-5-2)14(18)17-10-7-12-19-11-6-3/h4-12H2,1-3H3,(H,17,18).
What are the key properties of 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide?
2-cyano-N-(3-propoxypropyl)-2-propylpentanamide has a molecular weight of 268.40 g/mol, XLogP of 3.03, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-propoxypropyl)-2-propylpentanamide is sourced from PubChem (CID 82941499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).