1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C19H23N3O2 — CID 110911011

IUPAC1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCN(C)c1cccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C19H23N3O2/c1-22(2)15-8-5-6-13(10-15)12-20-19(24)21-18-16-9-4-3-7-14(16)11-17(18)23/h3-10,17-18,23H,11-12H2,1-2H3,(H2,20,21,24)/t17-,18+/m0/s1
InChIKeyPCVKHKHGHWEIDX-ZWKOTPCHSA-N
MW325.41 g/mol
LogP2.21
Rot. Bonds4

About 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110911011) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110911011
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCN(C)c1cccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1
InChIInChI=1S/C19H23N3O2/c1-22(2)15-8-5-6-13(10-15)12-20-19(24)21-18-16-9-4-3-7-14(16)11-17(18)23/h3-10,17-18,23H,11-12H2,1-2H3,(H2,20,21,24)/t17-,18+/m0/s1
InChIKeyPCVKHKHGHWEIDX-ZWKOTPCHSA-N
XLogP2.21
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 110894801
1-[(3-ethoxyphenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904220
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(naphthalen-2-ylmethyl)urea
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1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110904230
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-phenylethyl)urea
CID 75266020
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
1-[(2-fluorophenyl)methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 131961678
1-(cyclopropylmethyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895605
1-[2-[butyl(methyl)amino]ethyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 111121310
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-[3-(3-methoxyphenyl)propyl]urea
CID 110929163
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(3-methylphenyl)acetamide
CID 103816958
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-methylbutyl)urea
CID 110894408

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110911011) is 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CN(C)c1cccc(CNC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1.
What is the InChIKey of 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is PCVKHKHGHWEIDX-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)15-8-5-6-13(10-15)12-20-19(24)21-18-16-9-4-3-7-14(16)11-17(18)23/h3-10,17-18,23H,11-12H2,1-2H3,(H2,20,21,24)/t17-,18+/m0/s1.
What are the key properties of 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 325.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)phenyl]methyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110911011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).