3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide

C23H23N3O3 — CID 119049757

IUPAC3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
SMILESCOCc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1
InChIInChI=1S/C23H23N3O3/c1-16-8-11-18(22(27)24-19-6-4-3-5-7-19)14-21(16)26-23(28)25-20-12-9-17(10-13-20)15-29-2/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyDBJIHCVWIVHZQZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP5.04
Rot. Bonds6

About 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide

3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide (PubChem CID 119049757) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
PubChem CID119049757
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide
SMILESCOCc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1
InChIInChI=1S/C23H23N3O3/c1-16-8-11-18(22(27)24-19-6-4-3-5-7-19)14-21(16)26-23(28)25-20-12-9-17(10-13-20)15-29-2/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28)
InChIKeyDBJIHCVWIVHZQZ-UHFFFAOYSA-N
XLogP5.04
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methyl-N-phenylbenzamide
CID 119712036
4-methyl-3-(phenylcarbamoylamino)benzamide
CID 110472244
4-methyl-3-(2-methylpropanoylamino)-N-phenylbenzamide
CID 86977710
3-[(3-cyanophenyl)carbamoylamino]-4-methyl-N-phenylbenzamide
CID 141480879
4-benzamido-N-[3-(methoxymethyl)phenyl]benzamide
CID 32639408
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
3-[[4-(difluoromethoxy)phenyl]methylcarbamoylamino]-4-methyl-N-phenylbenzamide
CID 55738794
N-(5-fluoro-2-methylphenyl)-4-(methoxymethyl)benzamide
CID 8572955
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
4-methyl-3-[(2-methyl-2-propan-2-yloxypropanoyl)amino]-N-phenylbenzamide
CID 167818948
4-methyl-4-[[2-methyl-5-(phenylcarbamoyl)phenyl]carbamoylamino]pentanoic acid
CID 122076052

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide (CID 119049757) is 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide is COCc1ccc(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)cc1.
What is the InChIKey of 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide?
The InChIKey is DBJIHCVWIVHZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-8-11-18(22(27)24-19-6-4-3-5-7-19)14-21(16)26-23(28)25-20-12-9-17(10-13-20)15-29-2/h3-14H,15H2,1-2H3,(H,24,27)(H2,25,26,28).
What are the key properties of 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide?
3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide has a molecular weight of 389.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methoxymethyl)phenyl]carbamoylamino]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 119049757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).