1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea

C20H25N3O — CID 135214209

IUPAC1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
SMILESCN(CCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C20H25N3O/c1-23(12-11-16-7-3-2-4-8-16)20(24)22-15-19-13-17-9-5-6-10-18(17)14-21-19/h2-10,19,21H,11-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyBGMMWWVXIUASNP-IBGZPJMESA-N
MW323.44 g/mol
LogP2.59
Rot. Bonds5

About 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea

1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea (PubChem CID 135214209) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
PubChem CID135214209
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
SMILESCN(CCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C20H25N3O/c1-23(12-11-16-7-3-2-4-8-16)20(24)22-15-19-13-17-9-5-6-10-18(17)14-21-19/h2-10,19,21H,11-15H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyBGMMWWVXIUASNP-IBGZPJMESA-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

Analyze 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea with MolForge

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Related Compounds

1-methyl-3-(2-phenylethyl)-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213978
1-methyl-1-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)-3-(2-thiophen-3-ylethyl)urea
CID 135213976
4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide
CID 138030270
2-hydroxy-N-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 158628161
1-methyl-1-(2-phenylethyl)-3-prop-2-enylurea
CID 71940977
1-methyl-1-(2-phenylethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583935
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512992
2-hydroxy-3-[[methyl(2-phenylethyl)carbamoyl]amino]propanoic acid
CID 66166586
3-(3-cyclopentylpropyl)-1-methyl-1-(2-phenylethyl)urea
CID 87007292
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640
3-carbamoyl-1-methyl-1-(2-phenylethyl)urea
CID 23220

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea?
The IUPAC name of 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea (CID 135214209) is 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea is CN(CCc1ccccc1)C(=O)NC[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea?
The InChIKey is BGMMWWVXIUASNP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N3O/c1-23(12-11-16-7-3-2-4-8-16)20(24)22-15-19-13-17-9-5-6-10-18(17)14-21-19/h2-10,19,21H,11-15H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea?
1-methyl-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]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-1-(2-phenylethyl)-3-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea is sourced from PubChem (CID 135214209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).