N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide

C27H31NO4 — CID 3345423

IUPACN-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide
SMILESCCOc1ccc(C(CCc2ccccc2)NC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C27H31NO4/c1-4-31-25-18-16-21(19-26(25)32-5-2)23(17-15-20-11-7-6-8-12-20)28-27(29)22-13-9-10-14-24(22)30-3/h6-14,16,18-19,23H,4-5,15,17H2,1-3H3,(H,28,29)
InChIKeyPEEADTLHEYJNQS-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.60
Rot. Bonds11

About N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide

N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide (PubChem CID 3345423) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide
PubChem CID3345423
Molecular FormulaC27H31NO4
Molecular Weight433.55 g/mol
Exact Mass433.23
IUPAC NameN-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide
SMILESCCOc1ccc(C(CCc2ccccc2)NC(=O)c2ccccc2OC)cc1OCC
InChIInChI=1S/C27H31NO4/c1-4-31-25-18-16-21(19-26(25)32-5-2)23(17-15-20-11-7-6-8-12-20)28-27(29)22-13-9-10-14-24(22)30-3/h6-14,16,18-19,23H,4-5,15,17H2,1-3H3,(H,28,29)
InChIKeyPEEADTLHEYJNQS-UHFFFAOYSA-N
XLogP5.60
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[(2-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 1271460
4-ethoxy-3-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 1243127
2-benzylsulfanyl-N-[1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 132666695
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
N-[1-[2-(3,4-diethoxyphenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 43001783
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
2-chloro-N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]benzamide
CID 171987202
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 3466163
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-nitrobenzoyl)amino]propanoate
CID 7291212
N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2-fluorobenzamide
CID 171987201
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide (CID 3345423) is N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide is CCOc1ccc(C(CCc2ccccc2)NC(=O)c2ccccc2OC)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide?
The InChIKey is PEEADTLHEYJNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-4-31-25-18-16-21(19-26(25)32-5-2)23(17-15-20-11-7-6-8-12-20)28-27(29)22-13-9-10-14-24(22)30-3/h6-14,16,18-19,23H,4-5,15,17H2,1-3H3,(H,28,29).
What are the key properties of N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide?
N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide has a molecular weight of 433.55 g/mol, XLogP of 5.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)-3-phenylpropyl]-2-methoxybenzamide is sourced from PubChem (CID 3345423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).