2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide

C20H25NO3 — CID 132556229

IUPAC2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESCOC(CCc1ccccc1C(=O)N[C@H](C)c1ccccc1)OC
InChIInChI=1S/C20H25NO3/c1-15(16-9-5-4-6-10-16)21-20(22)18-12-8-7-11-17(18)13-14-19(23-2)24-3/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyPHGCWOVNQBGRAT-OAHLLOKOSA-N
MW327.42 g/mol
LogP3.73
Rot. Bonds8

About 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide

2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 132556229) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide
PubChem CID132556229
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide
SMILESCOC(CCc1ccccc1C(=O)N[C@H](C)c1ccccc1)OC
InChIInChI=1S/C20H25NO3/c1-15(16-9-5-4-6-10-16)21-20(22)18-12-8-7-11-17(18)13-14-19(23-2)24-3/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyPHGCWOVNQBGRAT-OAHLLOKOSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 46763830
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-phenylethyl)benzamide
CID 94019464
2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 167985714
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N-(1-phenylethyl)-2-sulfanylbenzamide
CID 113218601
3-amino-2-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 107863863
3-amino-2-methoxy-N-[(1S)-1-phenylethyl]benzamide
CID 107863919
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[(2-methoxyphenyl)carbamoylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 100747177

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide (CID 132556229) is 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide is COC(CCc1ccccc1C(=O)N[C@H](C)c1ccccc1)OC.
What is the InChIKey of 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is PHGCWOVNQBGRAT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(16-9-5-4-6-10-16)21-20(22)18-12-8-7-11-17(18)13-14-19(23-2)24-3/h4-12,15,19H,13-14H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide?
2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethoxypropyl)-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 132556229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).