3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide

C23H31NO3 — CID 34445344

IUPAC3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2C(C)C)cc1OC
InChIInChI=1S/C23H31NO3/c1-15(2)18-9-10-20(19(14-18)16(3)4)24-23(25)12-8-17-7-11-21(26-5)22(13-17)27-6/h7,9-11,13-16H,8,12H2,1-6H3,(H,24,25)
InChIKeyVAUQDEZGIMPCEU-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.52
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide (PubChem CID 34445344) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
PubChem CID34445344
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2C(C)C)cc1OC
InChIInChI=1S/C23H31NO3/c1-15(2)18-9-10-20(19(14-18)16(3)4)24-23(25)12-8-17-7-11-21(26-5)22(13-17)27-6/h7,9-11,13-16H,8,12H2,1-6H3,(H,24,25)
InChIKeyVAUQDEZGIMPCEU-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 38999781
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(3,4-dimethoxyphenyl)-N-(2-ethylsulfanylphenyl)propanamide
CID 92677216
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
N-(2-amino-4-methylphenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28867446
3-(4-methoxy-3-methylphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 100550206
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 28631937
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide (CID 34445344) is 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(C(C)C)cc2C(C)C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
The InChIKey is VAUQDEZGIMPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-15(2)18-9-10-20(19(14-18)16(3)4)24-23(25)12-8-17-7-11-21(26-5)22(13-17)27-6/h7,9-11,13-16H,8,12H2,1-6H3,(H,24,25).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide is sourced from PubChem (CID 34445344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).