3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide

C32H36N2O2 — CID 143836383

IUPAC3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
SMILESCc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2cccc(OCCN4CCCCC4)c2)CCC3)cc1
InChIInChI=1S/C32H36N2O2/c1-24-11-13-26(14-12-24)27-16-15-25-7-5-8-28(22-29(25)21-27)32(35)33-30-9-6-10-31(23-30)36-20-19-34-17-3-2-4-18-34/h6,9-16,21-23H,2-5,7-8,17-20H2,1H3,(H,33,35)
InChIKeyAJYVNNHYMKIPCB-UHFFFAOYSA-N
MW480.65 g/mol
LogP6.89
Rot. Bonds7

About 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide

3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide (PubChem CID 143836383) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
PubChem CID143836383
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC Name3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
SMILESCc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2cccc(OCCN4CCCCC4)c2)CCC3)cc1
InChIInChI=1S/C32H36N2O2/c1-24-11-13-26(14-12-24)27-16-15-25-7-5-8-28(22-29(25)21-27)32(35)33-30-9-6-10-31(23-30)36-20-19-34-17-3-2-4-18-34/h6,9-16,21-23H,2-5,7-8,17-20H2,1H3,(H,33,35)
InChIKeyAJYVNNHYMKIPCB-UHFFFAOYSA-N
XLogP6.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide with MolForge

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Related Compounds

N-[3-[2-(diethylamino)ethoxy]phenyl]-3-(4-methylphenyl)-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide
CID 143836367
7-(4-methylphenyl)-N-[3-(2-morpholin-4-ylethoxy)phenyl]-2,3-dihydro-1-benzoxepine-4-carboxamide
CID 143836364
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
7-phenyl-N-[4-(2-piperidin-1-ylethyl)phenyl]-3,4-dihydronaphthalene-2-carboxamide
CID 10765394
2-(azepan-1-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide
CID 54814501
2-piperidin-1-ylethyl N-(3-propan-2-yloxyphenyl)carbamate
CID 23275932
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
N-[4-[(2-ethylazocan-1-yl)methyl]phenyl]-7-(4-methylphenyl)-3,4-dihydronaphthalene-2-carboxamide
CID 141010175
1-[3-(2-piperidin-1-ylethoxy)phenyl]-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 139434928
2-piperidin-1-ylethyl N-(3-phenylmethoxyphenyl)carbamate;hydrochloride
CID 138398426
4-methyl-3-oxo-N-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-1,4-benzoxazine-5-carboxamide
CID 166292593
(5E)-N-[4-[[methyl(oxan-4-yl)amino]methyl]phenyl]-3-(4-methylphenyl)-7,8,9,10-tetrahydrobenzo[8]annulene-6-carboxamide
CID 142820571

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide (CID 143836383) is 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide is Cc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2cccc(OCCN4CCCCC4)c2)CCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
The InChIKey is AJYVNNHYMKIPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-24-11-13-26(14-12-24)27-16-15-25-7-5-8-28(22-29(25)21-27)32(35)33-30-9-6-10-31(23-30)36-20-19-34-17-3-2-4-18-34/h6,9-16,21-23H,2-5,7-8,17-20H2,1H3,(H,33,35).
What are the key properties of 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide?
3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide has a molecular weight of 480.65 g/mol, XLogP of 6.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-[3-(2-piperidin-1-ylethoxy)phenyl]-8,9-dihydro-7H-benzo[7]annulene-6-carboxamide is sourced from PubChem (CID 143836383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).