3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

C19H22N4O3 — CID 26312991

IUPAC3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cccc(NC(N)=O)c2)c(C)c1
InChIInChI=1S/C19H22N4O3/c1-11-7-12(2)17(13(3)8-11)23-16(24)10-21-18(25)14-5-4-6-15(9-14)22-19(20)26/h4-9H,10H2,1-3H3,(H,21,25)(H,23,24)(H3,20,22,26)
InChIKeyQWDGDKWQRPRJIA-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.47
Rot. Bonds5

About 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide

3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (PubChem CID 26312991) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
PubChem CID26312991
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cccc(NC(N)=O)c2)c(C)c1
InChIInChI=1S/C19H22N4O3/c1-11-7-12(2)17(13(3)8-11)23-16(24)10-21-18(25)14-5-4-6-15(9-14)22-19(20)26/h4-9H,10H2,1-3H3,(H,21,25)(H,23,24)(H3,20,22,26)
InChIKeyQWDGDKWQRPRJIA-UHFFFAOYSA-N
XLogP2.47
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26080594
3-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783081
N-benzyl-3-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54842929
3-(difluoromethoxy)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26072093
3,5-dimethyl-N-[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl]benzamide
CID 18146235
N-[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51220151
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
3-(carbamoylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 134691241
N-(2-benzamidoethyl)-3-(carbamoylamino)benzamide
CID 38205035
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
ethyl (3S)-3-[[2-[[3-(carbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoate
CID 56616485
N-[2-(3-acetylanilino)-2-oxoethyl]-4-methylbenzamide
CID 34830762

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide (CID 26312991) is 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is Cc1cc(C)c(NC(=O)CNC(=O)c2cccc(NC(N)=O)c2)c(C)c1.
What is the InChIKey of 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
The InChIKey is QWDGDKWQRPRJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-11-7-12(2)17(13(3)8-11)23-16(24)10-21-18(25)14-5-4-6-15(9-14)22-19(20)26/h4-9H,10H2,1-3H3,(H,21,25)(H,23,24)(H3,20,22,26).
What are the key properties of 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide?
3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide is sourced from PubChem (CID 26312991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).