N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C21H26N4O3 — CID 55446317

IUPACN-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C21H26N4O3/c1-14(2)12-24-21(28)16-9-5-7-11-18(16)25-19(26)13-23-17-10-6-4-8-15(17)20(27)22-3/h4-11,14,23H,12-13H2,1-3H3,(H,22,27)(H,24,28)(H,25,26)
InChIKeyUADQPBDPLWMRKN-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.48
Rot. Bonds8

About N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 55446317) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID55446317
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)NCC(C)C
InChIInChI=1S/C21H26N4O3/c1-14(2)12-24-21(28)16-9-5-7-11-18(16)25-19(26)13-23-17-10-6-4-8-15(17)20(27)22-3/h4-11,14,23H,12-13H2,1-3H3,(H,22,27)(H,24,28)(H,25,26)
InChIKeyUADQPBDPLWMRKN-UHFFFAOYSA-N
XLogP2.48
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 26543564
2-(butanoylamino)-N-(2-methylpropyl)benzamide
CID 37034782
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
CID 32987501
2-[[2-(2-methoxyethylamino)acetyl]amino]-N-(2-methylpropyl)benzamide;hydrochloride
CID 119684657
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
diethyl 5-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzene-1,3-dicarboxylate
CID 55436811
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 86911442
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
2-[[2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 60536621

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 55446317) is N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CNC(=O)c1ccccc1NCC(=O)Nc1ccccc1C(=O)NCC(C)C.
What is the InChIKey of N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is UADQPBDPLWMRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14(2)12-24-21(28)16-9-5-7-11-18(16)25-19(26)13-23-17-10-6-4-8-15(17)20(27)22-3/h4-11,14,23H,12-13H2,1-3H3,(H,22,27)(H,24,28)(H,25,26).
What are the key properties of N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.48, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 55446317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).