N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide

C28H33N3O4 — CID 42703210

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(C(=O)Nc2ccccc2)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C28H33N3O4/c1-21(23-10-6-4-7-11-23)31(28(33)30-24-12-8-5-9-13-24)19-17-27(32)29-18-16-22-14-15-25(34-2)26(20-22)35-3/h4-15,20-21H,16-19H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyTYLSSGPWAHCFHX-UHFFFAOYSA-N
MW475.59 g/mol
LogP5.05
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide (PubChem CID 42703210) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
PubChem CID42703210
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(C(=O)Nc2ccccc2)C(C)c2ccccc2)cc1OC
InChIInChI=1S/C28H33N3O4/c1-21(23-10-6-4-7-11-23)31(28(33)30-24-12-8-5-9-13-24)19-17-27(32)29-18-16-22-14-15-25(34-2)26(20-22)35-3/h4-15,20-21H,16-19H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyTYLSSGPWAHCFHX-UHFFFAOYSA-N
XLogP5.05
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
CID 42702946
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 42703855
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(1R)-1-phenylethyl]butanediamide
CID 7301185
3-[butan-2-yl-[(E)-3-phenylprop-2-enoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 42703866
3-[butan-2-yl(butylcarbamoyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 42703578
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
N-butan-2-yl-N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-3,4,5-trimethoxybenzamide
CID 42703860
3-(4-methoxyphenyl)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-1-(1-phenylethyl)urea
CID 3706770
3-cyclopropyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 110297293
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenoxypropanamide
CID 10471777
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 40730942
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide (CID 42703210) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide is COc1ccc(CCNC(=O)CCN(C(=O)Nc2ccccc2)C(C)c2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide?
The InChIKey is TYLSSGPWAHCFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O4/c1-21(23-10-6-4-7-11-23)31(28(33)30-24-12-8-5-9-13-24)19-17-27(32)29-18-16-22-14-15-25(34-2)26(20-22)35-3/h4-15,20-21H,16-19H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide has a molecular weight of 475.59 g/mol, XLogP of 5.05, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide is sourced from PubChem (CID 42703210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).