N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide

C20H34N2O3 — CID 133247077

IUPACN-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
SMILESCCCOC(C)(CCC)C(=O)Nc1ccc(OCCCN(C)C)cc1
InChIInChI=1S/C20H34N2O3/c1-6-13-20(3,25-15-7-2)19(23)21-17-9-11-18(12-10-17)24-16-8-14-22(4)5/h9-12H,6-8,13-16H2,1-5H3,(H,21,23)
InChIKeyWEKBVPDVEJAPIB-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.94
Rot. Bonds12

About N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide

N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide (PubChem CID 133247077) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
PubChem CID133247077
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC NameN-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
SMILESCCCOC(C)(CCC)C(=O)Nc1ccc(OCCCN(C)C)cc1
InChIInChI=1S/C20H34N2O3/c1-6-13-20(3,25-15-7-2)19(23)21-17-9-11-18(12-10-17)24-16-8-14-22(4)5/h9-12H,6-8,13-16H2,1-5H3,(H,21,23)
InChIKeyWEKBVPDVEJAPIB-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 53.94
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

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247067
(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
CID 100724805
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2R)-2-methyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100739757
2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpentanamide
CID 60928090
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
(2R)-2-methyl-N-[4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-2-propoxypentanamide
CID 100739818
(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide?
The IUPAC name of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide (CID 133247077) is N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide?
The canonical SMILES for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide is CCCOC(C)(CCC)C(=O)Nc1ccc(OCCCN(C)C)cc1.
What is the InChIKey of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide?
The InChIKey is WEKBVPDVEJAPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-6-13-20(3,25-15-7-2)19(23)21-17-9-11-18(12-10-17)24-16-8-14-22(4)5/h9-12H,6-8,13-16H2,1-5H3,(H,21,23).
What are the key properties of N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide?
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide has a molecular weight of 350.50 g/mol, XLogP of 3.94, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide is sourced from PubChem (CID 133247077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).