1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea

C20H24N2O — CID 28914051

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C20H24N2O/c1-13-7-8-17(11-14(13)2)15(3)21-20(23)22-19-10-9-16-5-4-6-18(16)12-19/h7-12,15H,4-6H2,1-3H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyKBGPJXRGIAVMOZ-HNNXBMFYSA-N
MW308.43 g/mol
LogP4.67
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea (PubChem CID 28914051) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea
PubChem CID28914051
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea
SMILESCc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C20H24N2O/c1-13-7-8-17(11-14(13)2)15(3)21-20(23)22-19-10-9-16-5-4-6-18(16)12-19/h7-12,15H,4-6H2,1-3H3,(H2,21,22,23)/t15-/m0/s1
InChIKeyKBGPJXRGIAVMOZ-HNNXBMFYSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-propylphenyl)ethyl]urea
CID 29057331
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]urea
CID 86987409
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1R)-1-(4-propan-2-ylphenyl)propyl]urea
CID 29057333
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(4-methylphenyl)propyl]urea
CID 17249377
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 29057320
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]urea
CID 29038554
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
methyl 2-[4-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]carbamoylamino]phenoxy]acetate
CID 97454994
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
CID 78976000

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea (CID 28914051) is 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea is Cc1ccc([C@H](C)NC(=O)Nc2ccc3c(c2)CCC3)cc1C.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea?
The InChIKey is KBGPJXRGIAVMOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-7-8-17(11-14(13)2)15(3)21-20(23)22-19-10-9-16-5-4-6-18(16)12-19/h7-12,15H,4-6H2,1-3H3,(H2,21,22,23)/t15-/m0/s1.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea?
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea has a molecular weight of 308.43 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(3,4-dimethylphenyl)ethyl]urea is sourced from PubChem (CID 28914051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).