3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide

C20H22N2O4 — CID 52829145

IUPAC3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
SMILESCc1ccc(C(=O)NO[C@H]2CCCCO2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-14-10-11-16(20(24)22-26-18-9-5-6-12-25-18)13-17(14)21-19(23)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyDNSYDSZEJXHNRD-SFHVURJKSA-N
MW354.41 g/mol
LogP3.44
Rot. Bonds5

About 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide

3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide (PubChem CID 52829145) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
PubChem CID52829145
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
SMILESCc1ccc(C(=O)NO[C@H]2CCCCO2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-14-10-11-16(20(24)22-26-18-9-5-6-12-25-18)13-17(14)21-19(23)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1
InChIKeyDNSYDSZEJXHNRD-SFHVURJKSA-N
XLogP3.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
CID 60612522
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
3-benzamido-4-methyl-N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17226585
3-benzamido-N,4-dimethylbenzamide
CID 17226324
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
CID 175242104
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
5-(oxan-2-yloxycarbamoyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 123685392
3-[[(S)-methylsulfinyl]methyl]-N-[(2S)-oxan-2-yl]oxybenzamide
CID 95156522

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide?
The IUPAC name of 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide (CID 52829145) is 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide is Cc1ccc(C(=O)NO[C@H]2CCCCO2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide?
The InChIKey is DNSYDSZEJXHNRD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-10-11-16(20(24)22-26-18-9-5-6-12-25-18)13-17(14)21-19(23)15-7-3-2-4-8-15/h2-4,7-8,10-11,13,18H,5-6,9,12H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1.
What are the key properties of 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide?
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide is sourced from PubChem (CID 52829145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).