N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide

C27H40N2O4 — CID 69413999

IUPACN-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCCCC(Cc1ccc(OCCCCOCc2ccccc2)nc1NC(=O)C(C)(C)C)OC
InChIInChI=1S/C27H40N2O4/c1-6-12-23(31-5)19-22-15-16-24(28-25(22)29-26(30)27(2,3)4)33-18-11-10-17-32-20-21-13-8-7-9-14-21/h7-9,13-16,23H,6,10-12,17-20H2,1-5H3,(H,28,29,30)
InChIKeyBTXMFIBVYCSLFI-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.80
Rot. Bonds14

About N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide

N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 69413999) has the molecular formula C27H40N2O4 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide
PubChem CID69413999
Molecular FormulaC27H40N2O4
Molecular Weight456.63 g/mol
Exact Mass456.30
IUPAC NameN-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide
SMILESCCCC(Cc1ccc(OCCCCOCc2ccccc2)nc1NC(=O)C(C)(C)C)OC
InChIInChI=1S/C27H40N2O4/c1-6-12-23(31-5)19-22-15-16-24(28-25(22)29-26(30)27(2,3)4)33-18-11-10-17-32-20-21-13-8-7-9-14-21/h7-9,13-16,23H,6,10-12,17-20H2,1-5H3,(H,28,29,30)
InChIKeyBTXMFIBVYCSLFI-UHFFFAOYSA-N
XLogP5.80
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-methyl-6-(2-phenylmethoxyethoxy)pyridine-3-carboxylate
CID 69349615
4-phenylmethoxybutyl 2,2-dimethylpropanoate
CID 56837525
ethyl 2-hydroxy-6-phenylmethoxyhexanoate
CID 141379360
acetic acid;butoxymethylbenzene
CID 139463153
dimethyl 2-(3-phenylmethoxypropyl)propanedioate
CID 170992106
butoxymethylbenzene;ethane
CID 145341806
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
tert-butyl 2-(4-phenylmethoxybutoxy)acetate
CID 176906340
2-amino-2-methyl-N-(4-phenylmethoxybutyl)propanamide
CID 119311846
dioctyl 2-methyl-2-(8-phenylmethoxyoctyl)propanedioate
CID 170432857
methyl 8-phenylmethoxyoctanoate
CID 562206
4-amino-N-(4-phenylmethoxybutyl)pentanamide;hydrochloride
CID 120561833

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide (CID 69413999) is N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide is CCCC(Cc1ccc(OCCCCOCc2ccccc2)nc1NC(=O)C(C)(C)C)OC.
What is the InChIKey of N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide?
The InChIKey is BTXMFIBVYCSLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O4/c1-6-12-23(31-5)19-22-15-16-24(28-25(22)29-26(30)27(2,3)4)33-18-11-10-17-32-20-21-13-8-7-9-14-21/h7-9,13-16,23H,6,10-12,17-20H2,1-5H3,(H,28,29,30).
What are the key properties of N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide?
N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 456.63 g/mol, XLogP of 5.80, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 69413999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).