1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea

C18H25N3O3 — CID 96518060

IUPAC1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
SMILESCOCCn1ccc2cc(NC(=O)NC[C@H]3CCC[C@@H]3O)ccc21
InChIInChI=1S/C18H25N3O3/c1-24-10-9-21-8-7-13-11-15(5-6-16(13)21)20-18(23)19-12-14-3-2-4-17(14)22/h5-8,11,14,17,22H,2-4,9-10,12H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1
InChIKeyYIYFZUGEEIKHSG-PBHICJAKSA-N
MW331.42 g/mol
LogP2.57
Rot. Bonds6

About 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea

1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea (PubChem CID 96518060) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea.

Molecular Properties

Compound Name1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
PubChem CID96518060
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea
SMILESCOCCn1ccc2cc(NC(=O)NC[C@H]3CCC[C@@H]3O)ccc21
InChIInChI=1S/C18H25N3O3/c1-24-10-9-21-8-7-13-11-15(5-6-16(13)21)20-18(23)19-12-14-3-2-4-17(14)22/h5-8,11,14,17,22H,2-4,9-10,12H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1
InChIKeyYIYFZUGEEIKHSG-PBHICJAKSA-N
XLogP2.57
TPSA75.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea?
The IUPAC name of 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea (CID 96518060) is 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea.
What is the SMILES notation for 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea?
The canonical SMILES for 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea is COCCn1ccc2cc(NC(=O)NC[C@H]3CCC[C@@H]3O)ccc21.
What is the InChIKey of 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea?
The InChIKey is YIYFZUGEEIKHSG-PBHICJAKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-10-9-21-8-7-13-11-15(5-6-16(13)21)20-18(23)19-12-14-3-2-4-17(14)22/h5-8,11,14,17,22H,2-4,9-10,12H2,1H3,(H2,19,20,23)/t14-,17+/m1/s1.
What are the key properties of 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea?
1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea has a molecular weight of 331.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-3-[1-(2-methoxyethyl)indol-5-yl]urea is sourced from PubChem (CID 96518060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).