1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

C23H25N3O — CID 135213793

IUPAC1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCC1Cc2ccccc2CN1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)26-23(27)25-15-22-13-20-8-4-5-9-21(20)14-24-22/h2-12,16,22,24H,13-15H2,1H3,(H2,25,26,27)/t16-,22?/m1/s1
InChIKeyNKNHFJVOOOVAHX-XESZBRCGSA-N
MW359.47 g/mol
LogP3.91
Rot. Bonds4

About 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (PubChem CID 135213793) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
PubChem CID135213793
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESC[C@@H](NC(=O)NCC1Cc2ccccc2CN1)c1ccc2ccccc2c1
InChIInChI=1S/C23H25N3O/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)26-23(27)25-15-22-13-20-8-4-5-9-21(20)14-24-22/h2-12,16,22,24H,13-15H2,1H3,(H2,25,26,27)/t16-,22?/m1/s1
InChIKeyNKNHFJVOOOVAHX-XESZBRCGSA-N
XLogP3.91
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512992
1-[(2R)-1-(1-benzothiophen-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512989
1-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-3-[1-(6-methylnaphthalen-2-yl)ethyl]urea
CID 135214297
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 167778484
1-[(2S)-1-(1-benzothiophen-2-yl)propan-2-yl]-3-[(7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]urea
CID 135213824
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
1-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-3-(piperidin-4-ylmethyl)urea
CID 126441251
1-(4-hydroxy-3-methylbutan-2-yl)-3-(1-naphthalen-2-ylethyl)urea
CID 111453999
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
methyl 2-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112769331
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The IUPAC name of 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (CID 135213793) is 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The canonical SMILES for 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is C[C@@H](NC(=O)NCC1Cc2ccccc2CN1)c1ccc2ccccc2c1.
What is the InChIKey of 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The InChIKey is NKNHFJVOOOVAHX-XESZBRCGSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16(18-11-10-17-6-2-3-7-19(17)12-18)26-23(27)25-15-22-13-20-8-4-5-9-21(20)14-24-22/h2-12,16,22,24H,13-15H2,1H3,(H2,25,26,27)/t16-,22?/m1/s1.
What are the key properties of 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea has a molecular weight of 359.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is sourced from PubChem (CID 135213793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).