1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea

C21H27N3O2 — CID 7525282

IUPAC1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea
SMILESO=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H27N3O2/c25-21(23-17-8-2-1-3-9-17)22-15-19(20-11-6-14-26-20)24-13-12-16-7-4-5-10-18(16)24/h4-7,10-11,14,17,19H,1-3,8-9,12-13,15H2,(H2,22,23,25)/t19-/m0/s1
InChIKeyJJEFVCQBKLCBFL-IBGZPJMESA-N
MW353.47 g/mol
LogP4.02
Rot. Bonds5

About 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea

1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea (PubChem CID 7525282) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea
PubChem CID7525282
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea
SMILESO=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)NC1CCCCC1
InChIInChI=1S/C21H27N3O2/c25-21(23-17-8-2-1-3-9-17)22-15-19(20-11-6-14-26-20)24-13-12-16-7-4-5-10-18(16)24/h4-7,10-11,14,17,19H,1-3,8-9,12-13,15H2,(H2,22,23,25)/t19-/m0/s1
InChIKeyJJEFVCQBKLCBFL-IBGZPJMESA-N
XLogP4.02
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclopropyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 7525396
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 7178879
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525394
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-propan-2-yloxamide
CID 7525395
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-3-methylbutanamide
CID 18577477
2-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525289
2-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7525288
N-benzyl-N'-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 18577516
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N-(3-hydroxypropyl)oxamide
CID 7525356
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-N'-(2,2-dimethoxyethyl)oxamide
CID 18577527
2-bromo-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 7178883
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-2-ethoxyacetamide
CID 7525323

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea (CID 7525282) is 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea is O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea?
The InChIKey is JJEFVCQBKLCBFL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O2/c25-21(23-17-8-2-1-3-9-17)22-15-19(20-11-6-14-26-20)24-13-12-16-7-4-5-10-18(16)24/h4-7,10-11,14,17,19H,1-3,8-9,12-13,15H2,(H2,22,23,25)/t19-/m0/s1.
What are the key properties of 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea?
1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea has a molecular weight of 353.47 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2S)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]urea is sourced from PubChem (CID 7525282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).