(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide

C19H32N2O3 — CID 100724805

IUPAC(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN(C)C)cc1
InChIInChI=1S/C19H32N2O3/c1-6-13-19(3,24-7-2)18(22)20-16-9-11-17(12-10-16)23-15-8-14-21(4)5/h9-12H,6-8,13-15H2,1-5H3,(H,20,22)/t19-/m0/s1
InChIKeyWJUYIBVQUGJNTA-IBGZPJMESA-N
MW336.48 g/mol
LogP3.55
Rot. Bonds11

About (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide

(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide (PubChem CID 100724805) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
PubChem CID100724805
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
SMILESCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN(C)C)cc1
InChIInChI=1S/C19H32N2O3/c1-6-13-19(3,24-7-2)18(22)20-16-9-11-17(12-10-16)23-15-8-14-21(4)5/h9-12H,6-8,13-15H2,1-5H3,(H,20,22)/t19-/m0/s1
InChIKeyWJUYIBVQUGJNTA-IBGZPJMESA-N
XLogP3.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.55
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-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247077
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247067
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
CID 100724348
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpentanamide
CID 60928090
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide?
The IUPAC name of (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide (CID 100724805) is (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide.
What is the SMILES notation for (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide?
The canonical SMILES for (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide is CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN(C)C)cc1.
What is the InChIKey of (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide?
The InChIKey is WJUYIBVQUGJNTA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N2O3/c1-6-13-19(3,24-7-2)18(22)20-16-9-11-17(12-10-16)23-15-8-14-21(4)5/h9-12H,6-8,13-15H2,1-5H3,(H,20,22)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide?
(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide has a molecular weight of 336.48 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide is sourced from PubChem (CID 100724805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).