4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide

C20H22N2O3 — CID 95928310

IUPAC4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide
SMILESO=CNc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1
InChIInChI=1S/C20H22N2O3/c23-14-21-18-8-6-17(7-9-18)20(24)22-19(15-4-2-1-3-5-15)16-10-12-25-13-11-16/h1-9,14,16,19H,10-13H2,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyFTAQPXVUAFTCHR-IBGZPJMESA-N
MW338.41 g/mol
LogP3.15
Rot. Bonds6

About 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide

4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide (PubChem CID 95928310) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide.

Molecular Properties

Compound Name4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide
PubChem CID95928310
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide
SMILESO=CNc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1
InChIInChI=1S/C20H22N2O3/c23-14-21-18-8-6-17(7-9-18)20(24)22-19(15-4-2-1-3-5-15)16-10-12-25-13-11-16/h1-9,14,16,19H,10-13H2,(H,21,23)(H,22,24)/t19-/m0/s1
InChIKeyFTAQPXVUAFTCHR-IBGZPJMESA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[oxan-4-yl(phenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 56791414
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N-[(R)-cyclopentyl(phenyl)methyl]-4-methoxybenzamide
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N-[cyclopropyl-(4-methoxyphenyl)methyl]benzamide
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CID 46516145
N-[cyclopropyl(phenyl)methyl]-4-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 42890430
N-[cyclopropyl(phenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 46451092
N-[cyclohexyl(phenyl)methyl]-4-fluoro-3-morpholin-4-ylsulfonylbenzamide
CID 55690040
N-[(S)-cyclopropyl(phenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
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CID 55590697

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide?
The IUPAC name of 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide (CID 95928310) is 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide.
What is the SMILES notation for 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide?
The canonical SMILES for 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide is O=CNc1ccc(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)cc1.
What is the InChIKey of 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide?
The InChIKey is FTAQPXVUAFTCHR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H22N2O3/c23-14-21-18-8-6-17(7-9-18)20(24)22-19(15-4-2-1-3-5-15)16-10-12-25-13-11-16/h1-9,14,16,19H,10-13H2,(H,21,23)(H,22,24)/t19-/m0/s1.
What are the key properties of 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide?
4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-[(R)-oxan-4-yl(phenyl)methyl]benzamide is sourced from PubChem (CID 95928310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).