(2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide

C17H24N4O4 — CID 126424867

IUPAC(2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCCO[C@H](C)C1)n(C)c(=O)n2C
InChIInChI=1S/C17H24N4O4/c1-11-10-21(6-5-7-25-11)16(22)18-12-8-13-14(9-15(12)24-4)20(3)17(23)19(13)2/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyMRUDGNNOSOETOI-LLVKDONJSA-N
MW348.40 g/mol
LogP1.53
Rot. Bonds2

About (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide

(2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 126424867) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide
PubChem CID126424867
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name(2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide
SMILESCOc1cc2c(cc1NC(=O)N1CCCO[C@H](C)C1)n(C)c(=O)n2C
InChIInChI=1S/C17H24N4O4/c1-11-10-21(6-5-7-25-11)16(22)18-12-8-13-14(9-15(12)24-4)20(3)17(23)19(13)2/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)/t11-/m1/s1
InChIKeyMRUDGNNOSOETOI-LLVKDONJSA-N
XLogP1.53
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide with MolForge

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Related Compounds

4-fluoro-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]benzoic acid
CID 62966579
(5-amino-2-methoxyphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62987911
2-methyl-1,4-oxazepane-4-carbohydrazide
CID 62968526
5-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157861
methyl 3-chloro-2-fluoro-5-[[(2R)-2-methyl-1,4-oxazepane-4-carbonyl]amino]benzoate
CID 125138580
2-methyl-1,4-oxazepane-4-carboxamide
CID 62973061
(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 97282303
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
(2S)-N-[3-cyano-4-(trifluoromethoxy)phenyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 124886800
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
N-(2-ethoxy-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 47262001

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide (CID 126424867) is (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide is COc1cc2c(cc1NC(=O)N1CCCO[C@H](C)C1)n(C)c(=O)n2C.
What is the InChIKey of (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is MRUDGNNOSOETOI-LLVKDONJSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-10-21(6-5-7-25-11)16(22)18-12-8-13-14(9-15(12)24-4)20(3)17(23)19(13)2/h8-9,11H,5-7,10H2,1-4H3,(H,18,22)/t11-/m1/s1.
What are the key properties of (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide?
(2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 126424867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).