3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide

C23H31NO4 — CID 7288794

IUPAC3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H31NO4/c1-6-17-10-12-18(13-11-17)16(5)24-23(25)19-14-20(26-7-2)22(28-9-4)21(15-19)27-8-3/h10-16H,6-9H2,1-5H3,(H,24,25)/t16-/m0/s1
InChIKeyBHFUGPWHCXEANN-INIZCTEOSA-N
MW385.50 g/mol
LogP4.94
Rot. Bonds10

About 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide

3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide (PubChem CID 7288794) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
PubChem CID7288794
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
SMILESCCOc1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc(OCC)c1OCC
InChIInChI=1S/C23H31NO4/c1-6-17-10-12-18(13-11-17)16(5)24-23(25)19-14-20(26-7-2)22(28-9-4)21(15-19)27-8-3/h10-16H,6-9H2,1-5H3,(H,24,25)/t16-/m0/s1
InChIKeyBHFUGPWHCXEANN-INIZCTEOSA-N
XLogP4.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-triethoxy-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 7696716
1-[1-(4-ethylphenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869694
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-iodobenzamide
CID 95356330
N-[1-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 6466147
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
3,4,5-triethoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 42907554
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
4-(difluoromethylsulfonylmethyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 96534711

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide (CID 7288794) is 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide is CCOc1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
The InChIKey is BHFUGPWHCXEANN-INIZCTEOSA-N. The full InChI is InChI=1S/C23H31NO4/c1-6-17-10-12-18(13-11-17)16(5)24-23(25)19-14-20(26-7-2)22(28-9-4)21(15-19)27-8-3/h10-16H,6-9H2,1-5H3,(H,24,25)/t16-/m0/s1.
What are the key properties of 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide?
3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide has a molecular weight of 385.50 g/mol, XLogP of 4.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide is sourced from PubChem (CID 7288794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).