3,4-diethoxy-N-(1-phenylethyl)benzamide

C19H23NO3 — CID 3369950

IUPAC3,4-diethoxy-N-(1-phenylethyl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccccc2)cc1OCC
InChIInChI=1S/C19H23NO3/c1-4-22-17-12-11-16(13-18(17)23-5-2)19(21)20-14(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,20,21)
InChIKeyFKHHCTOXCFNFBP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.97
Rot. Bonds7

About 3,4-diethoxy-N-(1-phenylethyl)benzamide

3,4-diethoxy-N-(1-phenylethyl)benzamide (PubChem CID 3369950) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3,4-diethoxy-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(1-phenylethyl)benzamide
PubChem CID3369950
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3,4-diethoxy-N-(1-phenylethyl)benzamide
SMILESCCOc1ccc(C(=O)NC(C)c2ccccc2)cc1OCC
InChIInChI=1S/C19H23NO3/c1-4-22-17-12-11-16(13-18(17)23-5-2)19(21)20-14(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,20,21)
InChIKeyFKHHCTOXCFNFBP-UHFFFAOYSA-N
XLogP3.97
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
1-N-(2-ethoxyphenyl)-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109054483
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 55585613

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(1-phenylethyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(1-phenylethyl)benzamide (CID 3369950) is 3,4-diethoxy-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(1-phenylethyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(1-phenylethyl)benzamide is CCOc1ccc(C(=O)NC(C)c2ccccc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(1-phenylethyl)benzamide?
The InChIKey is FKHHCTOXCFNFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-4-22-17-12-11-16(13-18(17)23-5-2)19(21)20-14(3)15-9-7-6-8-10-15/h6-14H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 3,4-diethoxy-N-(1-phenylethyl)benzamide?
3,4-diethoxy-N-(1-phenylethyl)benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 3369950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).