N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide

C20H34N2O3 — CID 133245961

IUPACN-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
SMILESCCCC(C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1
InChIInChI=1S/C20H34N2O3/c1-6-14-20(4,24-5)19(23)21-17-10-12-18(13-11-17)25-16-9-15-22(7-2)8-3/h10-13H,6-9,14-16H2,1-5H3,(H,21,23)
InChIKeyLSBMFNIZVNXNGC-UHFFFAOYSA-N
MW350.50 g/mol
LogP3.94
Rot. Bonds12

About N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide

N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide (PubChem CID 133245961) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide.

Molecular Properties

Compound NameN-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
PubChem CID133245961
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC NameN-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
SMILESCCCC(C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1
InChIInChI=1S/C20H34N2O3/c1-6-14-20(4,24-5)19(23)21-17-10-12-18(13-11-17)25-16-9-15-22(7-2)8-3/h10-13H,6-9,14-16H2,1-5H3,(H,21,23)
InChIKeyLSBMFNIZVNXNGC-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

(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133194288
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247077
(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
CID 100724805
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133167167
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide?
The IUPAC name of N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide (CID 133245961) is N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide.
What is the SMILES notation for N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide?
The canonical SMILES for N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide is CCCC(C)(OC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1.
What is the InChIKey of N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide?
The InChIKey is LSBMFNIZVNXNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-6-14-20(4,24-5)19(23)21-17-10-12-18(13-11-17)25-16-9-15-22(7-2)8-3/h10-13H,6-9,14-16H2,1-5H3,(H,21,23).
What are the key properties of N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide?
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide 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-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide is sourced from PubChem (CID 133245961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).