1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea

C19H30N4O2 — CID 99823439

IUPAC1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
SMILESC[C@H](CNC(=O)NCCN1CCCOCC1)N1CCc2ccccc21
InChIInChI=1S/C19H30N4O2/c1-16(23-10-7-17-5-2-3-6-18(17)23)15-21-19(24)20-8-11-22-9-4-13-25-14-12-22/h2-3,5-6,16H,4,7-15H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyZNPGRTTZDRERRW-MRXNPFEDSA-N
MW346.48 g/mol
LogP1.46
Rot. Bonds6

About 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea

1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea (PubChem CID 99823439) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
PubChem CID99823439
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
SMILESC[C@H](CNC(=O)NCCN1CCCOCC1)N1CCc2ccccc21
InChIInChI=1S/C19H30N4O2/c1-16(23-10-7-17-5-2-3-6-18(17)23)15-21-19(24)20-8-11-22-9-4-13-25-14-12-22/h2-3,5-6,16H,4,7-15H2,1H3,(H2,20,21,24)/t16-/m1/s1
InChIKeyZNPGRTTZDRERRW-MRXNPFEDSA-N
XLogP1.46
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea with MolForge

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Related Compounds

1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111067792
1-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823466
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971973
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-(2-methoxyphenyl)urea
CID 38887344
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
The IUPAC name of 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea (CID 99823439) is 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
The canonical SMILES for 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea is C[C@H](CNC(=O)NCCN1CCCOCC1)N1CCc2ccccc21.
What is the InChIKey of 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
The InChIKey is ZNPGRTTZDRERRW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16(23-10-7-17-5-2-3-6-18(17)23)15-21-19(24)20-8-11-22-9-4-13-25-14-12-22/h2-3,5-6,16H,4,7-15H2,1H3,(H2,20,21,24)/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea?
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea has a molecular weight of 346.48 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea is sourced from PubChem (CID 99823439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).