ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide

C19H26N2O3 — CID 144708687

IUPACethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide
SMILESCC.O=C(N[C@@H]1CNC1=O)c1ccc(OCc2ccccc2)cc1.[H][H].[H][H]
InChIInChI=1S/C17H16N2O3.C2H6.2H2/c20-16(19-15-10-18-17(15)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12;1-2;;/h1-9,15H,10-11H2,(H,18,21)(H,19,20);1-2H3;2*1H/t15-;;;/m1.../s1
InChIKeyITYYHWDFCDOSBI-HKPSJHCMSA-N
MW330.43 g/mol
LogP3.01
Rot. Bonds5

About ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide

ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide (PubChem CID 144708687) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide
PubChem CID144708687
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide
SMILESCC.O=C(N[C@@H]1CNC1=O)c1ccc(OCc2ccccc2)cc1.[H][H].[H][H]
InChIInChI=1S/C17H16N2O3.C2H6.2H2/c20-16(19-15-10-18-17(15)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12;1-2;;/h1-9,15H,10-11H2,(H,18,21)(H,19,20);1-2H3;2*1H/t15-;;;/m1.../s1
InChIKeyITYYHWDFCDOSBI-HKPSJHCMSA-N
XLogP3.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-(2-oxo-1,3-dihydroinden-1-yl)-4-phenylmethoxybenzamide
CID 23366092
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-(3-hydroxy-2-bicyclo[2.2.1]heptanyl)-4-phenylmethoxybenzamide
CID 23366095
4-phenylmethoxy-N-propylbenzamide
CID 4958389
4-phenylmethoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119473948
N-(4-hydroxy-1-methylsulfonylpyrrolidin-3-yl)-4-phenylmethoxybenzamide
CID 67840213
4-phenylmethoxybenzoic acid
CID 68896574
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide?
The IUPAC name of ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide (CID 144708687) is ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide.
What is the SMILES notation for ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide?
The canonical SMILES for ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide is CC.O=C(N[C@@H]1CNC1=O)c1ccc(OCc2ccccc2)cc1.[H][H].[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide?
The InChIKey is ITYYHWDFCDOSBI-HKPSJHCMSA-N. The full InChI is InChI=1S/C17H16N2O3.C2H6.2H2/c20-16(19-15-10-18-17(15)21)13-6-8-14(9-7-13)22-11-12-4-2-1-3-5-12;1-2;;/h1-9,15H,10-11H2,(H,18,21)(H,19,20);1-2H3;2*1H/t15-;;;/m1.../s1.
What are the key properties of ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide?
ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide has a molecular weight of 330.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-[(3R)-2-oxoazetidin-3-yl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 144708687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).