2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide

C19H22N2O3 — CID 126426614

IUPAC2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide
SMILESCC[C@H](COC)NC(=O)c1cccc(-c2ccccc2C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-3-15(12-24-2)21-19(23)14-8-6-7-13(11-14)16-9-4-5-10-17(16)18(20)22/h4-11,15H,3,12H2,1-2H3,(H2,20,22)(H,21,23)/t15-/m1/s1
InChIKeyHEMORMJPJYUJTC-OAHLLOKOSA-N
MW326.40 g/mol
LogP2.61
Rot. Bonds7

About 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide

2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide (PubChem CID 126426614) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide
PubChem CID126426614
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide
SMILESCC[C@H](COC)NC(=O)c1cccc(-c2ccccc2C(N)=O)c1
InChIInChI=1S/C19H22N2O3/c1-3-15(12-24-2)21-19(23)14-8-6-7-13(11-14)16-9-4-5-10-17(16)18(20)22/h4-11,15H,3,12H2,1-2H3,(H2,20,22)(H,21,23)/t15-/m1/s1
InChIKeyHEMORMJPJYUJTC-OAHLLOKOSA-N
XLogP2.61
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 125439403
3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 45138102
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
N-(1-methoxybutan-2-yl)-2-(trifluoromethyl)benzamide
CID 3613944
[2-formyl-4-(1-methoxybutan-2-ylcarbamoyl)phenyl]boronic acid
CID 166430542
4-amino-3,5-dichloro-N-(1-methoxybutan-2-yl)benzamide
CID 82832518
N-(1-methoxybutan-2-yl)-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081579
2-[[3-(2-ethoxyphenyl)benzoyl]amino]butanoic acid
CID 120523341
4-methoxy-N-(1-methoxybutan-2-yl)-3-sulfamoylbenzamide
CID 64688964

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide?
The IUPAC name of 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide (CID 126426614) is 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide?
The canonical SMILES for 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide is CC[C@H](COC)NC(=O)c1cccc(-c2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide?
The InChIKey is HEMORMJPJYUJTC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-15(12-24-2)21-19(23)14-8-6-7-13(11-14)16-9-4-5-10-17(16)18(20)22/h4-11,15H,3,12H2,1-2H3,(H2,20,22)(H,21,23)/t15-/m1/s1.
What are the key properties of 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide?
2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126426614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).