1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea

C18H27N3O2 — CID 95208028

IUPAC1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCC[C@H]1CN(C2Cc3ccccc3C2)CCO1
InChIInChI=1S/C18H27N3O2/c1-2-19-18(22)20-8-7-17-13-21(9-10-23-17)16-11-14-5-3-4-6-15(14)12-16/h3-6,16-17H,2,7-13H2,1H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyDNIKABBBFFQYPL-KRWDZBQOSA-N
MW317.43 g/mol
LogP1.56
Rot. Bonds5

About 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea

1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea (PubChem CID 95208028) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea
PubChem CID95208028
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea
SMILESCCNC(=O)NCC[C@H]1CN(C2Cc3ccccc3C2)CCO1
InChIInChI=1S/C18H27N3O2/c1-2-19-18(22)20-8-7-17-13-21(9-10-23-17)16-11-14-5-3-4-6-15(14)12-16/h3-6,16-17H,2,7-13H2,1H3,(H2,19,20,22)/t17-/m0/s1
InChIKeyDNIKABBBFFQYPL-KRWDZBQOSA-N
XLogP1.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea with MolForge

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Related Compounds

N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
N-(9H-fluoren-9-yl)morpholine-4-carboxamide
CID 806424
4-cyclopentyl-N-(2,3-dihydro-1H-inden-2-yl)piperazine-1-carboxamide
CID 44418558
N-(2,3-dihydro-1H-inden-2-yl)-4-isopropylpiperazine-1-carboxamide
CID 44418559
N-(2,3-dihydro-1H-inden-2-yl)-4-ethylpiperazine-1-carboxamide
CID 44418565
N-(4-phenylbutan-2-yl)morpholine-4-carboxamide
CID 2915222
ethyl N-{[{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}(2-methoxyethyl)amino]carbonyl}glycinate
CID 23723579
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N'-ethyl-N-(2-methoxyethyl)urea
CID 23723868
[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl] N-ethyl-N-methylcarbamate
CID 162667985
1-(3-Morpholin-4-ylpropyl)-3-(2-phenylethyl)urea
CID 38155390
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea?
The IUPAC name of 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea (CID 95208028) is 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea is CCNC(=O)NCC[C@H]1CN(C2Cc3ccccc3C2)CCO1.
What is the InChIKey of 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea?
The InChIKey is DNIKABBBFFQYPL-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-19-18(22)20-8-7-17-13-21(9-10-23-17)16-11-14-5-3-4-6-15(14)12-16/h3-6,16-17H,2,7-13H2,1H3,(H2,19,20,22)/t17-/m0/s1.
What are the key properties of 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea?
1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea has a molecular weight of 317.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-4-(2,3-dihydro-1H-inden-2-yl)morpholin-2-yl]ethyl]-3-ethylurea is sourced from PubChem (CID 95208028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).