N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide

C24H29NO2 — CID 102013000

IUPACN-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2c(c1)[C@H](CCNC(=O)C1CCC1)C[C@H](c1ccccc1)C2
InChIInChI=1S/C24H29NO2/c1-27-22-11-10-19-14-21(17-6-3-2-4-7-17)15-20(23(19)16-22)12-13-25-24(26)18-8-5-9-18/h2-4,6-7,10-11,16,18,20-21H,5,8-9,12-15H2,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKeyCHNMYFQAXCNAFN-NHCUHLMSSA-N
MW363.50 g/mol
LogP4.82
Rot. Bonds6

About N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 102013000) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID102013000
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide
SMILESCOc1ccc2c(c1)[C@H](CCNC(=O)C1CCC1)C[C@H](c1ccccc1)C2
InChIInChI=1S/C24H29NO2/c1-27-22-11-10-19-14-21(17-6-3-2-4-7-17)15-20(23(19)16-22)12-13-25-24(26)18-8-5-9-18/h2-4,6-7,10-11,16,18,20-21H,5,8-9,12-15H2,1H3,(H,25,26)/t20-,21-/m1/s1
InChIKeyCHNMYFQAXCNAFN-NHCUHLMSSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[2-(7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]acetamide
CID 44582885
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-methylpropanamide
CID 54317020
N-[2-(N-(3-methoxyphenyl)anilino)ethyl]cyclobutanecarboxamide
CID 24750194
N-[2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 22922683
N-[2-(2-benzyl-6-methoxy-2,3-dihydro-1H-inden-1-yl)ethyl]acetamide
CID 25270486
N-[2-(6-methoxy-3-oxo-2H-1,3-benzoxazol-3-ium-2-yl)ethyl]cyclobutanecarboxamide
CID 19920195
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
4-[3-(furan-2-yl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylbutanamide
CID 22133248
ethyl N-[(1S,2S)-6-methoxy-1-phenyl-2,3-dihydro-1H-inden-2-yl]carbamate
CID 10567004
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide (CID 102013000) is N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide is COc1ccc2c(c1)[C@H](CCNC(=O)C1CCC1)C[C@H](c1ccccc1)C2.
What is the InChIKey of N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is CHNMYFQAXCNAFN-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H29NO2/c1-27-22-11-10-19-14-21(17-6-3-2-4-7-17)15-20(23(19)16-22)12-13-25-24(26)18-8-5-9-18/h2-4,6-7,10-11,16,18,20-21H,5,8-9,12-15H2,1H3,(H,25,26)/t20-,21-/m1/s1.
What are the key properties of N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 363.50 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,3S)-7-methoxy-3-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 102013000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).