N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C25H36N2O4 — CID 43067524

IUPACN-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCN(CC)C(CNC(=O)CCc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1
InChIInChI=1S/C25H36N2O4/c1-6-27(7-2)21(15-19-11-9-8-10-12-19)18-26-24(28)14-13-20-16-22(29-3)25(31-5)23(17-20)30-4/h8-12,16-17,21H,6-7,13-15,18H2,1-5H3,(H,26,28)
InChIKeyQWVXTLNKSPWYOV-UHFFFAOYSA-N
MW428.57 g/mol
LogP3.71
Rot. Bonds13

About N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 43067524) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID43067524
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCN(CC)C(CNC(=O)CCc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1
InChIInChI=1S/C25H36N2O4/c1-6-27(7-2)21(15-19-11-9-8-10-12-19)18-26-24(28)14-13-20-16-22(29-3)25(31-5)23(17-20)30-4/h8-12,16-17,21H,6-7,13-15,18H2,1-5H3,(H,26,28)
InChIKeyQWVXTLNKSPWYOV-UHFFFAOYSA-N
XLogP3.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-3-phenylpropyl]-3-(4-methoxyphenyl)propanamide
CID 51186444
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
(2R)-2-phenyl-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]acetic acid
CID 119367644
N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55726601
N-[(1R)-1-phenylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 9330254
N-[2-(diethylamino)-3-phenylpropyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46414125
N-[3-[[2-(diethylamino)-3-phenylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 42958354
N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55843576
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776286

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 43067524) is N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide is CCN(CC)C(CNC(=O)CCc1cc(OC)c(OC)c(OC)c1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is QWVXTLNKSPWYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-6-27(7-2)21(15-19-11-9-8-10-12-19)18-26-24(28)14-13-20-16-22(29-3)25(31-5)23(17-20)30-4/h8-12,16-17,21H,6-7,13-15,18H2,1-5H3,(H,26,28).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 428.57 g/mol, XLogP of 3.71, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 43067524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).