N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C23H29NO3 — CID 100705940

IUPACN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1OCC
InChIInChI=1S/C23H29NO3/c1-4-26-21-13-12-18(15-22(21)27-5-2)16(3)24-23(25)20-11-10-17-8-6-7-9-19(17)14-20/h10-16H,4-9H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyBQMXHMQHEZNUHH-MRXNPFEDSA-N
MW367.49 g/mol
LogP4.85
Rot. Bonds7

About N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100705940) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100705940
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC NameN-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1OCC
InChIInChI=1S/C23H29NO3/c1-4-26-21-13-12-18(15-22(21)27-5-2)16(3)24-23(25)20-11-10-17-8-6-7-9-19(17)14-20/h10-16H,4-9H2,1-3H3,(H,24,25)/t16-/m1/s1
InChIKeyBQMXHMQHEZNUHH-MRXNPFEDSA-N
XLogP4.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133190984
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
N-[(1S)-1-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706676
N-[1-(3,4-diethoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 43022798
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 17459758
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 9418967
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
3,4-diethoxy-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 42990102
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100705940) is N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CCOc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)cc1OCC.
What is the InChIKey of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is BQMXHMQHEZNUHH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-26-21-13-12-18(15-22(21)27-5-2)16(3)24-23(25)20-11-10-17-8-6-7-9-19(17)14-20/h10-16H,4-9H2,1-3H3,(H,24,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100705940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).