1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

C20H25N3O — CID 135213978

IUPAC1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESCN(CC1Cc2ccccc2CN1)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H25N3O/c1-23(20(24)21-12-11-16-7-3-2-4-8-16)15-19-13-17-9-5-6-10-18(17)14-22-19/h2-10,19,22H,11-15H2,1H3,(H,21,24)
InChIKeyRLHSRCKSKPVRKO-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.59
Rot. Bonds5

About 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (PubChem CID 135213978) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
PubChem CID135213978
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESCN(CC1Cc2ccccc2CN1)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H25N3O/c1-23(20(24)21-12-11-16-7-3-2-4-8-16)15-19-13-17-9-5-6-10-18(17)14-22-19/h2-10,19,22H,11-15H2,1H3,(H,21,24)
InChIKeyRLHSRCKSKPVRKO-UHFFFAOYSA-N
XLogP2.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea
CID 135213976
1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
CID 135214209
3-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-1-[[(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-1-methylurea
CID 135214208
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
N-ethyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 10822718
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603517
1-[(2-chlorophenyl)methyl]-1-methyl-3-(2-phenylethyl)urea
CID 27533879
(3R)-N-(2-pyridin-4-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61178668
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
N-methyl-2-methylsulfanyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)ethanamine
CID 112660760

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (CID 135213978) is 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is CN(CC1Cc2ccccc2CN1)C(=O)NCCc1ccccc1.
What is the InChIKey of 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The InChIKey is RLHSRCKSKPVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-23(20(24)21-12-11-16-7-3-2-4-8-16)15-19-13-17-9-5-6-10-18(17)14-22-19/h2-10,19,22H,11-15H2,1H3,(H,21,24).
What are the key properties of 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea has a molecular weight of 323.44 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is sourced from PubChem (CID 135213978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).