N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide

C24H23N3O4 — CID 3349610

IUPACN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16-4-3-5-19(14-16)23(29)25-20-10-8-18(9-11-20)24(30)27-26-22(28)15-17-6-12-21(31-2)13-7-17/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyBTIVHUGEVCMPJU-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.26
Rot. Bonds6

About N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide

N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 3349610) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
PubChem CID3349610
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C24H23N3O4/c1-16-4-3-5-19(14-16)23(29)25-20-10-8-18(9-11-20)24(30)27-26-22(28)15-17-6-12-21(31-2)13-7-17/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30)
InChIKeyBTIVHUGEVCMPJU-UHFFFAOYSA-N
XLogP3.26
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
3-methyl-N-[4-[(propanoylamino)carbamoyl]phenyl]benzamide
CID 909687
N-[4-[[3-(4-methoxyphenyl)prop-2-enoylamino]carbamoyl]phenyl]-3-methylbenzamide
CID 3316450
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
N-[4-[[[2-(4-chlorophenoxy)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 3347368
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]butanamide
CID 1011747
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
3-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 5343922
3-(dimethylamino)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 26184762
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-3-methylbenzamide
CID 3347367
N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-methylbenzamide
CID 108537853

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide (CID 3349610) is N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide is COc1ccc(CC(=O)NNC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is BTIVHUGEVCMPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16-4-3-5-19(14-16)23(29)25-20-10-8-18(9-11-20)24(30)27-26-22(28)15-17-6-12-21(31-2)13-7-17/h3-14H,15H2,1-2H3,(H,25,29)(H,26,28)(H,27,30).
What are the key properties of N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide?
N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 417.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-methoxyphenyl)acetyl]amino]carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 3349610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).