4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide

C21H26N2O3 — CID 167818948

IUPAC4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)(C)OC(C)C
InChIInChI=1S/C21H26N2O3/c1-14(2)26-21(4,5)20(25)23-18-13-16(12-11-15(18)3)19(24)22-17-9-7-6-8-10-17/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyQAEUAYVWSMSNPL-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.39
Rot. Bonds6

About 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide

4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide (PubChem CID 167818948) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
PubChem CID167818948
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)(C)OC(C)C
InChIInChI=1S/C21H26N2O3/c1-14(2)26-21(4,5)20(25)23-18-13-16(12-11-15(18)3)19(24)22-17-9-7-6-8-10-17/h6-14H,1-5H3,(H,22,24)(H,23,25)
InChIKeyQAEUAYVWSMSNPL-UHFFFAOYSA-N
XLogP4.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-phenyl-2-propan-2-yloxypropanamide
CID 177401592
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
3-[[2-(cyclopropylmethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide;hydrochloride
CID 119712027
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
CID 119049757
4-methyl-4-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoylamino]pentanoic acid
CID 122076052
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-[3-[acetyl(propan-2-yl)amino]propylcarbamoylamino]-4-methyl-N-phenylbenzamide
CID 47039647
3-benzamido-N-(1-hydroxy-2-methylpropan-2-yl)-4-methylbenzamide
CID 75392218
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide
CID 55738794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide?
The IUPAC name of 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide (CID 167818948) is 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide.
What is the SMILES notation for 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide?
The canonical SMILES for 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)(C)OC(C)C.
What is the InChIKey of 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide?
The InChIKey is QAEUAYVWSMSNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)26-21(4,5)20(25)23-18-13-16(12-11-15(18)3)19(24)22-17-9-7-6-8-10-17/h6-14H,1-5H3,(H,22,24)(H,23,25).
What are the key properties of 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide?
4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide is sourced from PubChem (CID 167818948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).