1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea

C19H27N3O2 — CID 111505791

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C19H27N3O2/c1-13-14(15-6-3-4-7-16(15)21-13)9-11-20-18(24)22-17-8-5-10-19(17,2)12-23/h3-4,6-7,17,21,23H,5,8-12H2,1-2H3,(H2,20,22,24)
InChIKeySPJFYNPFWBAMKO-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.87
Rot. Bonds5

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 111505791) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID111505791
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)NC1CCCC1(C)CO
InChIInChI=1S/C19H27N3O2/c1-13-14(15-6-3-4-7-16(15)21-13)9-11-20-18(24)22-17-8-5-10-19(17,2)12-23/h3-4,6-7,17,21,23H,5,8-12H2,1-2H3,(H2,20,22,24)
InChIKeySPJFYNPFWBAMKO-UHFFFAOYSA-N
XLogP2.87
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-(6-methyl-2-oxopiperidin-3-yl)urea
CID 166262731
1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 99833373
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-phenylmethoxyethyl)urea
CID 111619157
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
(3S)-3-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 95604431
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
6-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3273445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (CID 111505791) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is Cc1[nH]c2ccccc2c1CCNC(=O)NC1CCCC1(C)CO.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is SPJFYNPFWBAMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-14(15-6-3-4-7-16(15)21-13)9-11-20-18(24)22-17-8-5-10-19(17,2)12-23/h3-4,6-7,17,21,23H,5,8-12H2,1-2H3,(H2,20,22,24).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 111505791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).