1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

C17H27N3O2 — CID 110895956

IUPAC1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCN(CC)C(C)CNC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H27N3O2/c1-4-20(5-2)12(3)11-18-17(22)19-16-14-9-7-6-8-13(14)10-15(16)21/h6-9,12,15-16,21H,4-5,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyFOJMBLZUARAQKX-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea

1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (PubChem CID 110895956) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.

Molecular Properties

Compound Name1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
PubChem CID110895956
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
SMILESCCN(CC)C(C)CNC(=O)NC1c2ccccc2CC1O
InChIInChI=1S/C17H27N3O2/c1-4-20(5-2)12(3)11-18-17(22)19-16-14-9-7-6-8-13(14)10-15(16)21/h6-9,12,15-16,21H,4-5,10-11H2,1-3H3,(H2,18,19,22)
InChIKeyFOJMBLZUARAQKX-UHFFFAOYSA-N
XLogP1.67
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.67
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-methylbutyl)urea
CID 110894408
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[2-(2-methoxyphenyl)propyl]urea
CID 110923131
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110923387
1-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 51092805
1-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 94176470
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507828
1-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 75613660
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111455877
1-(3-ethoxy-4-methylpentyl)-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111542818
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-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 124736927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The IUPAC name of 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea (CID 110895956) is 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea.
What is the SMILES notation for 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The canonical SMILES for 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is CCN(CC)C(C)CNC(=O)NC1c2ccccc2CC1O.
What is the InChIKey of 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
The InChIKey is FOJMBLZUARAQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-20(5-2)12(3)11-18-17(22)19-16-14-9-7-6-8-13(14)10-15(16)21/h6-9,12,15-16,21H,4-5,10-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea?
1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea has a molecular weight of 305.42 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea is sourced from PubChem (CID 110895956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).