3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide

C17H22N4O3 — CID 71937894

IUPAC3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cc(C(=O)NC2CCCCNC2=O)ccc1N1CCNC1=O
InChIInChI=1S/C17H22N4O3/c1-11-10-12(5-6-14(11)21-9-8-19-17(21)24)15(22)20-13-4-2-3-7-18-16(13)23/h5-6,10,13H,2-4,7-9H2,1H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyWVBYYLIHFLVSDN-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.92
Rot. Bonds3

About 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide

3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 71937894) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID71937894
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cc(C(=O)NC2CCCCNC2=O)ccc1N1CCNC1=O
InChIInChI=1S/C17H22N4O3/c1-11-10-12(5-6-14(11)21-9-8-19-17(21)24)15(22)20-13-4-2-3-7-18-16(13)23/h5-6,10,13H,2-4,7-9H2,1H3,(H,18,23)(H,19,24)(H,20,22)
InChIKeyWVBYYLIHFLVSDN-UHFFFAOYSA-N
XLogP0.92
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
CID 94493854
3-methyl-N-[4-(methylcarbamoyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 60566894
4-[[(3S)-2-oxopiperidin-3-yl]carbamoyl]benzoic acid
CID 94349391
N-[(3R)-2-oxoazepan-3-yl]-1H-indole-6-carboxamide
CID 6713907
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
4-(bromomethyl)-N-(2-oxoazepan-3-yl)benzamide
CID 102851110
3-methyl-4-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 55161131
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
2-(aminomethyl)-N-(2-oxoazepan-3-yl)pyridine-4-carboxamide
CID 114325785
N-(2-oxoazepan-3-yl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 71891205
4-chloro-3-iodo-N-(2-oxopiperidin-3-yl)benzamide
CID 47478589
6-(dimethylamino)-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 56817220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide (CID 71937894) is 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide is Cc1cc(C(=O)NC2CCCCNC2=O)ccc1N1CCNC1=O.
What is the InChIKey of 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is WVBYYLIHFLVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-10-12(5-6-14(11)21-9-8-19-17(21)24)15(22)20-13-4-2-3-7-18-16(13)23/h5-6,10,13H,2-4,7-9H2,1H3,(H,18,23)(H,19,24)(H,20,22).
What are the key properties of 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide?
3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 330.39 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxoazepan-3-yl)-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 71937894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).