1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea

C18H25N3O2 — CID 99833373

IUPAC1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCO[C@H]1CC[C@H](NC(=O)NCCc2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C18H25N3O2/c1-12-15(16-5-3-4-6-17(16)20-12)9-10-19-18(22)21-13-7-8-14(11-13)23-2/h3-6,13-14,20H,7-11H2,1-2H3,(H2,19,21,22)/t13-,14-/m0/s1
InChIKeyORNYJDKSECKMSS-KBPBESRZSA-N
MW315.42 g/mol
LogP2.89
Rot. Bonds5

About 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea

1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 99833373) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID99833373
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCO[C@H]1CC[C@H](NC(=O)NCCc2c(C)[nH]c3ccccc23)C1
InChIInChI=1S/C18H25N3O2/c1-12-15(16-5-3-4-6-17(16)20-12)9-10-19-18(22)21-13-7-8-14(11-13)23-2/h3-6,13-14,20H,7-11H2,1-2H3,(H2,19,21,22)/t13-,14-/m0/s1
InChIKeyORNYJDKSECKMSS-KBPBESRZSA-N
XLogP2.89
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

Luzindole
CID 122162
N-(2,3,4,9-Tetrahydro-1H-carbazol-3-YL)acetamide
CID 12361788
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CID 10386173
1-(1H-indol-3-yl)propan-2-ylurea
CID 2827482
1-((2-methyl-1H-indol-5-yl)methyl)-3-phenylurea
CID 5128834
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-propylurea
CID 4667208
N-[2-(2-phenyl-1H-indol-3-yl)ethyl]acetamide
CID 4715058
1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea
CID 712567
1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 3237248
ethyl N-[(2-methyl-1H-indol-5-yl)methyl]carbamate
CID 4588656
N-[2-(2-phenyl-1H-indol-3-yl)ethyl]propanamide
CID 10402087
methyl N-[2-[2-(N-methyl-C-phenylcarbonimidoyl)-1H-indol-3-yl]ethyl]carbamate
CID 155540790

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (CID 99833373) is 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is CO[C@H]1CC[C@H](NC(=O)NCCc2c(C)[nH]c3ccccc23)C1.
What is the InChIKey of 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is ORNYJDKSECKMSS-KBPBESRZSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-15(16-5-3-4-6-17(16)20-12)9-10-19-18(22)21-13-7-8-14(11-13)23-2/h3-6,13-14,20H,7-11H2,1-2H3,(H2,19,21,22)/t13-,14-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 315.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 99833373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).