1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea

C18H26N4O2 — CID 94030578

IUPAC1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea
SMILESC[C@@H](CNC(=O)N[C@H]1CCCCNC1=O)N1CCc2ccccc21
InChIInChI=1S/C18H26N4O2/c1-13(22-11-9-14-6-2-3-8-16(14)22)12-20-18(24)21-15-7-4-5-10-19-17(15)23/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3,(H,19,23)(H2,20,21,24)/t13-,15-/m0/s1
InChIKeyFPDZBHUPIMZEBO-ZFWWWQNUSA-N
MW330.43 g/mol
LogP1.41
Rot. Bonds4

About 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea

1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea (PubChem CID 94030578) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea
PubChem CID94030578
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea
SMILESC[C@@H](CNC(=O)N[C@H]1CCCCNC1=O)N1CCc2ccccc21
InChIInChI=1S/C18H26N4O2/c1-13(22-11-9-14-6-2-3-8-16(14)22)12-20-18(24)21-15-7-4-5-10-19-17(15)23/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3,(H,19,23)(H2,20,21,24)/t13-,15-/m0/s1
InChIKeyFPDZBHUPIMZEBO-ZFWWWQNUSA-N
XLogP1.41
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 95326856
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111630627
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38314037
(3S)-1-acetyl-N-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]piperidine-3-carboxamide
CID 51725598
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895780
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
1-[(3S)-2-oxoazepan-3-yl]-3-[(2R)-3,3,3-trifluoro-2-phenylpropyl]urea
CID 124618427
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-[1-(2-methoxyphenyl)ethyl]urea
CID 78860902
1-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97087349
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058385
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea?
The IUPAC name of 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea (CID 94030578) is 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea?
The canonical SMILES for 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea is C[C@@H](CNC(=O)N[C@H]1CCCCNC1=O)N1CCc2ccccc21.
What is the InChIKey of 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea?
The InChIKey is FPDZBHUPIMZEBO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(22-11-9-14-6-2-3-8-16(14)22)12-20-18(24)21-15-7-4-5-10-19-17(15)23/h2-3,6,8,13,15H,4-5,7,9-12H2,1H3,(H,19,23)(H2,20,21,24)/t13-,15-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea?
1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea has a molecular weight of 330.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea is sourced from PubChem (CID 94030578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).