N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

C27H30N2O2 — CID 175027281

IUPACN-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESCC(C)c1ccc(OCc2ccccc2)c(C(=O)N(C)c2ccc3c(c2)CCCN3)c1
InChIInChI=1S/C27H30N2O2/c1-19(2)21-11-14-26(31-18-20-8-5-4-6-9-20)24(17-21)27(30)29(3)23-12-13-25-22(16-23)10-7-15-28-25/h4-6,8-9,11-14,16-17,19,28H,7,10,15,18H2,1-3H3
InChIKeyJSXUTOIYGMLFMW-UHFFFAOYSA-N
MW414.55 g/mol
LogP6.02
Rot. Bonds6

About N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide

N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (PubChem CID 175027281) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.

Molecular Properties

Compound NameN-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
PubChem CID175027281
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide
SMILESCC(C)c1ccc(OCc2ccccc2)c(C(=O)N(C)c2ccc3c(c2)CCCN3)c1
InChIInChI=1S/C27H30N2O2/c1-19(2)21-11-14-26(31-18-20-8-5-4-6-9-20)24(17-21)27(30)29(3)23-12-13-25-22(16-23)10-7-15-28-25/h4-6,8-9,11-14,16-17,19,28H,7,10,15,18H2,1-3H3
InChIKeyJSXUTOIYGMLFMW-UHFFFAOYSA-N
XLogP6.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide with MolForge

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Related Compounds

2-phenylmethoxy-N-[[4-(phenylmethoxycarbamoyl)phenyl]methyl]-N-(4-piperidin-1-ylphenyl)-5-propan-2-ylbenzamide
CID 175578813
2-(dimethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256351
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
(2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 163353622
methyl 2-phenylmethoxy-4-[(4-propan-2-ylphenyl)methoxy]benzoate
CID 10596554
5-(dimethylamino)-2-phenylmethoxybenzamide
CID 141273591
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
5-(1,3-diphenylbutyl)-2-phenylmethoxybenzoic acid
CID 139749479
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049
2-[methyl(1,2,3,4-tetrahydroquinolin-6-yl)amino]-N-propylacetamide
CID 81214504
N-(3-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107734701

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The IUPAC name of N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide (CID 175027281) is N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide.
What is the SMILES notation for N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The canonical SMILES for N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is CC(C)c1ccc(OCc2ccccc2)c(C(=O)N(C)c2ccc3c(c2)CCCN3)c1.
What is the InChIKey of N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
The InChIKey is JSXUTOIYGMLFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-19(2)21-11-14-26(31-18-20-8-5-4-6-9-20)24(17-21)27(30)29(3)23-12-13-25-22(16-23)10-7-15-28-25/h4-6,8-9,11-14,16-17,19,28H,7,10,15,18H2,1-3H3.
What are the key properties of N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide?
N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide has a molecular weight of 414.55 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenylmethoxy-5-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)benzamide is sourced from PubChem (CID 175027281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).