1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea

C19H28FN3O2 — CID 96520148

IUPAC1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C19H28FN3O2/c1-22(2)10-11-23(13-14-5-4-12-25-14)19(24)21-18-9-8-15-16(18)6-3-7-17(15)20/h3,6-7,14,18H,4-5,8-13H2,1-2H3,(H,21,24)/t14-,18-/m1/s1
InChIKeyYTFGJYPQSYAEQK-RDTXWAMCSA-N
MW349.45 g/mol
LogP2.57
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea

1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea (PubChem CID 96520148) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
PubChem CID96520148
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea
SMILESCN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2c(F)cccc21
InChIInChI=1S/C19H28FN3O2/c1-22(2)10-11-23(13-14-5-4-12-25-14)19(24)21-18-9-8-15-16(18)6-3-7-17(15)20/h3,6-7,14,18H,4-5,8-13H2,1-2H3,(H,21,24)/t14-,18-/m1/s1
InChIKeyYTFGJYPQSYAEQK-RDTXWAMCSA-N
XLogP2.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95159511
3-(3-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 52507120
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 97016848
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
1-butyl-3-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-1-(3-hydroxypropyl)urea
CID 110013273
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 71980640
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 96570042
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
1-ethyl-3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 95968273
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
1-benzyl-3-(2-fluorophenyl)-1-(oxolan-2-ylmethyl)urea
CID 47070305

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea (CID 96520148) is 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea is CN(C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCc2c(F)cccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
The InChIKey is YTFGJYPQSYAEQK-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-22(2)10-11-23(13-14-5-4-12-25-14)19(24)21-18-9-8-15-16(18)6-3-7-17(15)20/h3,6-7,14,18H,4-5,8-13H2,1-2H3,(H,21,24)/t14-,18-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea?
1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea has a molecular weight of 349.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[(1R)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-1-[[(2R)-oxolan-2-yl]methyl]urea is sourced from PubChem (CID 96520148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).