N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

C17H27N3O3 — CID 37486928

IUPACN-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCOc1ncccc1CNC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-5-23-15-13(8-6-10-18-15)12-20-14(21)9-7-11-19-16(22)17(2,3)4/h6,8,10H,5,7,9,11-12H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyORDVEAFTUNFFEH-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.04
Rot. Bonds8

About N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 37486928) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID37486928
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCCOc1ncccc1CNC(=O)CCCNC(=O)C(C)(C)C
InChIInChI=1S/C17H27N3O3/c1-5-23-15-13(8-6-10-18-15)12-20-14(21)9-7-11-19-16(22)17(2,3)4/h6,8,10H,5,7,9,11-12H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyORDVEAFTUNFFEH-UHFFFAOYSA-N
XLogP2.04
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,4-difluorobenzamide
CID 38539516
3-(4-tert-butylphenyl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487440
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(4-fluorophenyl)propanamide
CID 37487522
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
N-[(2-ethoxy-3-pyridinyl)methyl]-3-methylbut-2-enamide
CID 37488136
4-hydroxy-N-[(2-methoxy-3-pyridinyl)methyl]butanamide
CID 79204552
N-[4-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55714907
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 38537408
N-[(2-ethoxy-3-pyridinyl)methyl]-3-(2-fluorophenyl)sulfanylpropanamide
CID 37487153
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487509
N',N'-dipropyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pentanediamide
CID 56540548

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 37486928) is N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is CCOc1ncccc1CNC(=O)CCCNC(=O)C(C)(C)C.
What is the InChIKey of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is ORDVEAFTUNFFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-23-15-13(8-6-10-18-15)12-20-14(21)9-7-11-19-16(22)17(2,3)4/h6,8,10H,5,7,9,11-12H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-ethoxy-3-pyridinyl)methylamino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 37486928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).