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

C18H23N3O3 — CID 110923387

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCN(C)C(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccco1
InChIInChI=1S/C18H23N3O3/c1-21(2)14(16-8-5-9-24-16)11-19-18(23)20-17-13-7-4-3-6-12(13)10-15(17)22/h3-9,14-15,17,22H,10-11H2,1-2H3,(H2,19,20,23)/t14?,15-,17+/m1/s1
InChIKeyBNUUPPMOLXDFBJ-LBVBGPOBSA-N
MW329.40 g/mol
LogP1.84
Rot. Bonds5

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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110923387) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110923387
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESCN(C)C(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccco1
InChIInChI=1S/C18H23N3O3/c1-21(2)14(16-8-5-9-24-16)11-19-18(23)20-17-13-7-4-3-6-12(13)10-15(17)22/h3-9,14-15,17,22H,10-11H2,1-2H3,(H2,19,20,23)/t14?,15-,17+/m1/s1
InChIKeyBNUUPPMOLXDFBJ-LBVBGPOBSA-N
XLogP1.84
TPSA77.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-(diethylamino)propyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 110895956
1-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 94154078
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
trans-(1R,2R)-1-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxocyclopentane-1,2-dicarboxamide
CID 124726367
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-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2-methyl-3-thiophen-2-ylpropyl)urea
CID 111507828
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-hydroxy-2-phenylbutyl)urea
CID 111455877
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110923387) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is CN(C)C(CNC(=O)N[C@H]1c2ccccc2C[C@H]1O)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is BNUUPPMOLXDFBJ-LBVBGPOBSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-21(2)14(16-8-5-9-24-16)11-19-18(23)20-17-13-7-4-3-6-12(13)10-15(17)22/h3-9,14-15,17,22H,10-11H2,1-2H3,(H2,19,20,23)/t14?,15-,17+/m1/s1.
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 329.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110923387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).