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

C18H21N3O2 — CID 110907994

IUPAC1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCN(C)c1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C18H21N3O2/c1-21(2)15-10-6-5-9-14(15)19-18(23)20-17-13-8-4-3-7-12(13)11-16(17)22/h3-10,16-17,22H,11H2,1-2H3,(H2,19,20,23)/t16-,17+/m0/s1
InChIKeyAAKWLHOPLXCRND-DLBZAZTESA-N
MW311.39 g/mol
LogP2.53
Rot. Bonds3

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

1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110907994) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110907994
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCN(C)c1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C18H21N3O2/c1-21(2)15-10-6-5-9-14(15)19-18(23)20-17-13-8-4-3-7-12(13)11-16(17)22/h3-10,16-17,22H,11H2,1-2H3,(H2,19,20,23)/t16-,17+/m0/s1
InChIKeyAAKWLHOPLXCRND-DLBZAZTESA-N
XLogP2.53
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.53
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-[2-(trifluoromethyl)phenyl]urea
CID 75617082
1-(2,5-dimethylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51094079
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001
3-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoylamino]-4-methoxy-N,N-dimethylbenzamide
CID 136578177
1-tert-butyl-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 61367022
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
1-(3-chloro-2-methyl-4-pyridinyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 91649382
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-[2-hydroxyethyl(methyl)amino]-5-(pentafluoro-λ6-sulfanyl)phenyl]urea
CID 126667727
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110907994) is 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CN(C)c1ccccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is AAKWLHOPLXCRND-DLBZAZTESA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21(2)15-10-6-5-9-14(15)19-18(23)20-17-13-8-4-3-7-12(13)11-16(17)22/h3-10,16-17,22H,11H2,1-2H3,(H2,19,20,23)/t16-,17+/m0/s1.
What are the key properties of 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 311.39 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110907994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).