N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide

C23H38N2O3 — CID 133245923

IUPACN-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
SMILESCOC(C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1
InChIInChI=1S/C23H38N2O3/c1-19(2)18-23(3,27-4)22(26)24-20-10-12-21(13-11-20)28-17-9-16-25-14-7-5-6-8-15-25/h10-13,19H,5-9,14-18H2,1-4H3,(H,24,26)
InChIKeyHQZCYYCXTKYGLR-UHFFFAOYSA-N
MW390.57 g/mol
LogP4.72
Rot. Bonds10

About N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide

N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide (PubChem CID 133245923) has the molecular formula C23H38N2O3 and a molecular weight of 390.57 g/mol. Its IUPAC name is N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
PubChem CID133245923
Molecular FormulaC23H38N2O3
Molecular Weight390.57 g/mol
Exact Mass390.29
IUPAC NameN-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
SMILESCOC(C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1
InChIInChI=1S/C23H38N2O3/c1-19(2)18-23(3,27-4)22(26)24-20-10-12-21(13-11-20)28-17-9-16-25-14-7-5-6-8-15-25/h10-13,19H,5-9,14-18H2,1-4H3,(H,24,26)
InChIKeyHQZCYYCXTKYGLR-UHFFFAOYSA-N
XLogP4.72
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2-methylpropanamide
CID 100692930
(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
2,2-dimethyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]propanamide
CID 100690251
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100695273
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]butanamide
CID 133246297
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324
(2S)-2-methoxy-2,4-dimethyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100695248
(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
CID 100723548
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100695331

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide (CID 133245923) is N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide is COC(C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1.
What is the InChIKey of N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is HQZCYYCXTKYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3/c1-19(2)18-23(3,27-4)22(26)24-20-10-12-21(13-11-20)28-17-9-16-25-14-7-5-6-8-15-25/h10-13,19H,5-9,14-18H2,1-4H3,(H,24,26).
What are the key properties of N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide?
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 390.57 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 133245923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).