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

C19H27N3O2 — CID 109398586

IUPAC1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N(C)CC1CCCC1O
InChIInChI=1S/C19H27N3O2/c1-13-15(16-7-3-4-8-17(16)21-13)10-11-20-19(24)22(2)12-14-6-5-9-18(14)23/h3-4,7-8,14,18,21,23H,5-6,9-12H2,1-2H3,(H,20,24)
InChIKeyUWSVNILQMPVVOJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.82
Rot. Bonds5

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

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 109398586) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID109398586
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2ccccc2c1CCNC(=O)N(C)CC1CCCC1O
InChIInChI=1S/C19H27N3O2/c1-13-15(16-7-3-4-8-17(16)21-13)10-11-20-19(24)22(2)12-14-6-5-9-18(14)23/h3-4,7-8,14,18,21,23H,5-6,9-12H2,1-2H3,(H,20,24)
InChIKeyUWSVNILQMPVVOJ-UHFFFAOYSA-N
XLogP2.82
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.82
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

1-[(2-hydroxycyclopentyl)methyl]-2-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]guanidine
CID 119155699
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 99578317
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 110012348
2-[(2-hydroxycyclopentyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 109398298
2-acetyl-N-[(2-hydroxycyclohexyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 154845653
N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 119313731
(2S)-2-acetamido-2-cyclopentyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 95141300
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea (CID 109398586) is 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is Cc1[nH]c2ccccc2c1CCNC(=O)N(C)CC1CCCC1O.
What is the InChIKey of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is UWSVNILQMPVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-15(16-7-3-4-8-17(16)21-13)10-11-20-19(24)22(2)12-14-6-5-9-18(14)23/h3-4,7-8,14,18,21,23H,5-6,9-12H2,1-2H3,(H,20,24).
What are the key properties of 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea?
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 109398586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).