1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

C20H29N3O2 — CID 110012348

IUPAC1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)N(C)CC3CCCCC3O)c12
InChIInChI=1S/C20H29N3O2/c1-14-6-5-8-17-19(14)15(12-22-17)10-11-21-20(25)23(2)13-16-7-3-4-9-18(16)24/h5-6,8,12,16,18,22,24H,3-4,7,9-11,13H2,1-2H3,(H,21,25)
InChIKeyRSGRKVARHBISCH-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.21
Rot. Bonds5

About 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea

1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 110012348) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID110012348
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1cccc2[nH]cc(CCNC(=O)N(C)CC3CCCCC3O)c12
InChIInChI=1S/C20H29N3O2/c1-14-6-5-8-17-19(14)15(12-22-17)10-11-21-20(25)23(2)13-16-7-3-4-9-18(16)24/h5-6,8,12,16,18,22,24H,3-4,7,9-11,13H2,1-2H3,(H,21,25)
InChIKeyRSGRKVARHBISCH-UHFFFAOYSA-N
XLogP3.21
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea with MolForge

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Related Compounds

1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 109398586
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
N-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 167756273
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774512
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
1,2-dimethyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383885

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea (CID 110012348) is 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is Cc1cccc2[nH]cc(CCNC(=O)N(C)CC3CCCCC3O)c12.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is RSGRKVARHBISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-6-5-8-17-19(14)15(12-22-17)10-11-21-20(25)23(2)13-16-7-3-4-9-18(16)24/h5-6,8,12,16,18,22,24H,3-4,7,9-11,13H2,1-2H3,(H,21,25).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea?
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 343.47 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 110012348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).