N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C34H37NO2 — CID 142124436

IUPACN-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(CC2=CCC(OCc3ccccc3)C=C2)C(=O)C2CCCc3ccccc32)cc1
InChIInChI=1S/C34H37NO2/c1-25(2)28-17-19-30(20-18-28)35(34(36)33-14-8-12-29-11-6-7-13-32(29)33)23-26-15-21-31(22-16-26)37-24-27-9-4-3-5-10-27/h3-7,9-11,13,15-21,25,31,33H,8,12,14,22-24H2,1-2H3
InChIKeyXUBXBMUCOQRFBF-UHFFFAOYSA-N
MW491.68 g/mol
LogP7.73
Rot. Bonds8

About N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 142124436) has the molecular formula C34H37NO2 and a molecular weight of 491.68 g/mol. Its IUPAC name is N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID142124436
Molecular FormulaC34H37NO2
Molecular Weight491.68 g/mol
Exact Mass491.28
IUPAC NameN-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)c1ccc(N(CC2=CCC(OCc3ccccc3)C=C2)C(=O)C2CCCc3ccccc32)cc1
InChIInChI=1S/C34H37NO2/c1-25(2)28-17-19-30(20-18-28)35(34(36)33-14-8-12-29-11-6-7-13-32(29)33)23-26-15-21-31(22-16-26)37-24-27-9-4-3-5-10-27/h3-7,9-11,13,15-21,25,31,33H,8,12,14,22-24H2,1-2H3
InChIKeyXUBXBMUCOQRFBF-UHFFFAOYSA-N
XLogP7.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10136763
4-[(N-(5-phenylmethoxy-1,2,3,4-tetrahydronaphthalene-1-carbonyl)-4-propan-2-ylanilino)methyl]benzoic acid
CID 59597335
ethane;N-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 142124483
N-[[4-(dimethylamino)phenyl]methyl]-7-propan-2-yl-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10162195
5-hydroxy-N-[(4-hydroxyphenyl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597244
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenylmethoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 67183274
7-methoxy-N-(4-propan-2-ylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 59597184
N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;hydrochloride
CID 5311121
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10204678
N-[[4-(dimethylamino)phenyl]methyl]-5-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 10182818
(1S)-N-[[4-(dimethylamino)phenyl]methyl]-7-methoxy-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide;ethanol;dihydrochloride
CID 67184573
N-(4-aminophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62719075

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 142124436) is N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(CC2=CCC(OCc3ccccc3)C=C2)C(=O)C2CCCc3ccccc32)cc1.
What is the InChIKey of N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is XUBXBMUCOQRFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO2/c1-25(2)28-17-19-30(20-18-28)35(34(36)33-14-8-12-29-11-6-7-13-32(29)33)23-26-15-21-31(22-16-26)37-24-27-9-4-3-5-10-27/h3-7,9-11,13,15-21,25,31,33H,8,12,14,22-24H2,1-2H3.
What are the key properties of N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 491.68 g/mol, XLogP of 7.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenylmethoxycyclohexa-1,5-dien-1-yl)methyl]-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 142124436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).