N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide

C23H30N2O4 — CID 59507289

IUPACN-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C(C)(C)CNC(C)=O)c2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-14-8-10-18(15(2)21(14)23(4,5)13-24-16(3)26)25-22(27)17-9-11-19(28-6)20(12-17)29-7/h8-12H,13H2,1-7H3,(H,24,26)(H,25,27)
InChIKeySBBRTYNOPQBHBN-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.99
Rot. Bonds7

About N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide

N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide (PubChem CID 59507289) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide
PubChem CID59507289
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(C(C)(C)CNC(C)=O)c2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-14-8-10-18(15(2)21(14)23(4,5)13-24-16(3)26)25-22(27)17-9-11-19(28-6)20(12-17)29-7/h8-12H,13H2,1-7H3,(H,24,26)(H,25,27)
InChIKeySBBRTYNOPQBHBN-UHFFFAOYSA-N
XLogP3.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
N-(2-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 28866924
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 4879673
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
[2-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropyl]urea
CID 115168853
4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
2-[(3,4-dimethoxybenzoyl)amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-5-methylbenzamide
CID 23107625

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide (CID 59507289) is N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C)c(C(C)(C)CNC(C)=O)c2C)cc1OC.
What is the InChIKey of N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide?
The InChIKey is SBBRTYNOPQBHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-14-8-10-18(15(2)21(14)23(4,5)13-24-16(3)26)25-22(27)17-9-11-19(28-6)20(12-17)29-7/h8-12H,13H2,1-7H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide?
N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide has a molecular weight of 398.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-acetamido-2-methylpropan-2-yl)-2,4-dimethylphenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 59507289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).