4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide

C27H29N3O3 — CID 66649104

IUPAC4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)N(C)c3ccc4c(c3)CNCC4)c2)cc1C
InChIInChI=1S/C27H29N3O3/c1-18-13-21(8-10-25(18)33-3)26(31)29-16-19-5-4-6-22(14-19)27(32)30(2)24-9-7-20-11-12-28-17-23(20)15-24/h4-10,13-15,28H,11-12,16-17H2,1-3H3,(H,29,31)
InChIKeyKDAJJIPSLUNUGN-UHFFFAOYSA-N
MW443.55 g/mol
LogP3.86
Rot. Bonds6

About 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide

4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide (PubChem CID 66649104) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
PubChem CID66649104
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(=O)N(C)c3ccc4c(c3)CNCC4)c2)cc1C
InChIInChI=1S/C27H29N3O3/c1-18-13-21(8-10-25(18)33-3)26(31)29-16-19-5-4-6-22(14-19)27(32)30(2)24-9-7-20-11-12-28-17-23(20)15-24/h4-10,13-15,28H,11-12,16-17H2,1-3H3,(H,29,31)
InChIKeyKDAJJIPSLUNUGN-UHFFFAOYSA-N
XLogP3.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide with MolForge

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Related Compounds

N-[[3-[(4-fluorophenyl)methyl-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 66649239
N-[[3-[(2-fluorophenyl)methyl-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 66649263
N-[[3-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]phenyl]methyl]-4-methoxy-3-methylbenzamide
CID 25054568
4-methoxy-3-methyl-N-[[3-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide
CID 59190836
N-[(2-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171879
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
N-[3-[2-(3,4-dimethoxyanilino)-2-oxoethyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 25055574
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
N-(1,3-benzodioxol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 82171878
N-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997880
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998750
4-bromo-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-methylbenzamide
CID 105357575

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide?
The IUPAC name of 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide (CID 66649104) is 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide is COc1ccc(C(=O)NCc2cccc(C(=O)N(C)c3ccc4c(c3)CNCC4)c2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide?
The InChIKey is KDAJJIPSLUNUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-18-13-21(8-10-25(18)33-3)26(31)29-16-19-5-4-6-22(14-19)27(32)30(2)24-9-7-20-11-12-28-17-23(20)15-24/h4-10,13-15,28H,11-12,16-17H2,1-3H3,(H,29,31).
What are the key properties of 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide?
4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[[3-[methyl(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamoyl]phenyl]methyl]benzamide is sourced from PubChem (CID 66649104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).