N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

C22H29NO4 — CID 7914234

IUPACN-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H29NO4/c1-22(2,3)16-8-10-17(11-9-16)23-20(24)12-7-15-13-18(25-4)21(27-6)19(14-15)26-5/h8-11,13-14H,7,12H2,1-6H3,(H,23,24)
InChIKeyNZXNRABCXFCDAI-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.58
Rot. Bonds7

About N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide

N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 7914234) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID7914234
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H29NO4/c1-22(2,3)16-8-10-17(11-9-16)23-20(24)12-7-15-13-18(25-4)21(27-6)19(14-15)26-5/h8-11,13-14H,7,12H2,1-6H3,(H,23,24)
InChIKeyNZXNRABCXFCDAI-UHFFFAOYSA-N
XLogP4.58
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3-trimethoxy-5-[3-oxo-3-[4-(sulfinoamino)anilino]propyl]benzene
CID 153265603
3-(4-tert-butylphenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19221168
N-(3-acetamido-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 33307641
N-[4-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidin-4-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 46786070
N-(3-chloro-4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2683148
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
3-(4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 7741638
N-(3-methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2665681
3-(4-tert-butylphenyl)-N-[3-(difluoromethoxy)-4-methoxyphenyl]propanamide
CID 18272953
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4884121

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide (CID 7914234) is N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)Nc2ccc(C(C)(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is NZXNRABCXFCDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-22(2,3)16-8-10-17(11-9-16)23-20(24)12-7-15-13-18(25-4)21(27-6)19(14-15)26-5/h8-11,13-14H,7,12H2,1-6H3,(H,23,24).
What are the key properties of N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 7914234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).