(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide

C20H23N3O4 — CID 7443433

IUPAC(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C20H23N3O4/c1-5-16(27-18-9-7-6-8-17(18)26-4)19(24)21-13-10-11-14-15(12-13)23(3)20(25)22(14)2/h6-12,16H,5H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyFVNJUYYMGFBKFH-MRXNPFEDSA-N
MW369.42 g/mol
LogP2.68
Rot. Bonds6

About (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide

(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide (PubChem CID 7443433) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
PubChem CID7443433
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
SMILESCC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C20H23N3O4/c1-5-16(27-18-9-7-6-8-17(18)26-4)19(24)21-13-10-11-14-15(12-13)23(3)20(25)22(14)2/h6-12,16H,5H2,1-4H3,(H,21,24)/t16-/m1/s1
InChIKeyFVNJUYYMGFBKFH-MRXNPFEDSA-N
XLogP2.68
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2,3-dimethylphenoxy)butanamide
CID 28633022
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034114
N-(3,4-dichlorophenyl)-2-(2-methoxyphenoxy)butanamide
CID 17034086
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
(2R)-2-(2-methoxyphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 99132139
N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 44782476
(2R)-N-(3,4-dimethoxyphenyl)-2-(2-fluorophenoxy)butanamide
CID 40742385
(2R)-N-(3,4-dimethoxyphenyl)-2-naphthalen-1-yloxybutanamide
CID 92680294
(2R)-2-(2-methoxyphenoxy)-N-(3-nitrophenyl)butanamide
CID 9172432
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
CID 92686106
(2R)-2-(2-chlorophenoxy)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 92685233

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide (CID 7443433) is (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide is CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide?
The InChIKey is FVNJUYYMGFBKFH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-5-16(27-18-9-7-6-8-17(18)26-4)19(24)21-13-10-11-14-15(12-13)23(3)20(25)22(14)2/h6-12,16H,5H2,1-4H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide?
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide has a molecular weight of 369.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 7443433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).