N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H25NO2 — CID 100704372

IUPACN-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-3-20(16-10-12-19(24-2)13-11-16)22-21(23)18-9-8-15-6-4-5-7-17(15)14-18/h8-14,20H,3-7H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyAZWSEXXOWMMIRD-FQEVSTJZSA-N
MW323.44 g/mol
LogP4.46
Rot. Bonds5

About N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 100704372) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID100704372
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-3-20(16-10-12-19(24-2)13-11-16)22-21(23)18-9-8-15-6-4-5-7-17(15)14-18/h8-14,20H,3-7H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyAZWSEXXOWMMIRD-FQEVSTJZSA-N
XLogP4.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 133231412
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[(1R)-1-(3,4-dimethylphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705656
4-propan-2-yloxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191484
N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 24547712
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 108784618
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 100704372) is N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(OC)cc1.
What is the InChIKey of N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is AZWSEXXOWMMIRD-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-20(16-10-12-19(24-2)13-11-16)22-21(23)18-9-8-15-6-4-5-7-17(15)14-18/h8-14,20H,3-7H2,1-2H3,(H,22,23)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 100704372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).