1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

C23H29N3O — CID 146512992

IUPAC1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESC[C@H](CC1Cc2ccccc2C1)NC(=O)NCC1Cc2ccccc2CN1
InChIInChI=1S/C23H29N3O/c1-16(10-17-11-18-6-2-3-7-19(18)12-17)26-23(27)25-15-22-13-20-8-4-5-9-21(20)14-24-22/h2-9,16-17,22,24H,10-15H2,1H3,(H2,25,26,27)/t16-,22?/m1/s1
InChIKeyMMJKXSLWVSFZAN-XESZBRCGSA-N
MW363.51 g/mol
LogP3.19
Rot. Bonds5

About 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea

1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (PubChem CID 146512992) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
PubChem CID146512992
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
SMILESC[C@H](CC1Cc2ccccc2C1)NC(=O)NCC1Cc2ccccc2CN1
InChIInChI=1S/C23H29N3O/c1-16(10-17-11-18-6-2-3-7-19(18)12-17)26-23(27)25-15-22-13-20-8-4-5-9-21(20)14-24-22/h2-9,16-17,22,24H,10-15H2,1H3,(H2,25,26,27)/t16-,22?/m1/s1
InChIKeyMMJKXSLWVSFZAN-XESZBRCGSA-N
XLogP3.19
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-1-(1-benzothiophen-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 146512989
1-[(1R)-1-naphthalen-2-ylethyl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 135213793
1-(2-amino-2-cyclopropylethyl)-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea
CID 167778484
1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-[[(3S)-7-hydroxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]urea
CID 135213804
1-[(2S)-1-(1-benzothiophen-2-yl)propan-2-yl]-3-[(7-hydroxy-1,2,3,4-tetrahydroisoquinolin-3-yl)methyl]urea
CID 135213824
(3R)-3-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 59084899
5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 138030092
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-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]urea
CID 135214209
(3S)-N-(1-hydroxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896123
(3R)-N-(5-methylhexan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61154225
4-(hydroxymethyl)-4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)piperidine-1-carboxamide
CID 138030270

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The IUPAC name of 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea (CID 146512992) is 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea.
What is the SMILES notation for 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The canonical SMILES for 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is C[C@H](CC1Cc2ccccc2C1)NC(=O)NCC1Cc2ccccc2CN1.
What is the InChIKey of 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
The InChIKey is MMJKXSLWVSFZAN-XESZBRCGSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(10-17-11-18-6-2-3-7-19(18)12-17)26-23(27)25-15-22-13-20-8-4-5-9-21(20)14-24-22/h2-9,16-17,22,24H,10-15H2,1H3,(H2,25,26,27)/t16-,22?/m1/s1.
What are the key properties of 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea?
1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea has a molecular weight of 363.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(2,3-dihydro-1H-inden-2-yl)propan-2-yl]-3-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)urea is sourced from PubChem (CID 146512992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).