1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea

C19H27FN4O — CID 166249715

IUPAC1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2cc(F)ccc2c1CCNC(=O)NCC1CC(N(C)C)C1
InChIInChI=1S/C19H27FN4O/c1-12-16(17-5-4-14(20)10-18(17)23-12)6-7-21-19(25)22-11-13-8-15(9-13)24(2)3/h4-5,10,13,15,23H,6-9,11H2,1-3H3,(H2,21,22,25)
InChIKeyFOFLRGLLOZLNRU-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.80
Rot. Bonds6

About 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea

1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 166249715) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID166249715
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1[nH]c2cc(F)ccc2c1CCNC(=O)NCC1CC(N(C)C)C1
InChIInChI=1S/C19H27FN4O/c1-12-16(17-5-4-14(20)10-18(17)23-12)6-7-21-19(25)22-11-13-8-15(9-13)24(2)3/h4-5,10,13,15,23H,6-9,11H2,1-3H3,(H2,21,22,25)
InChIKeyFOFLRGLLOZLNRU-UHFFFAOYSA-N
XLogP2.80
TPSA60.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.80
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

cis-(1R,3S)-3-amino-N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 166276508
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82498821
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]pentanamide
CID 113085879
3-(6-fluoro-2-methyl-1H-indol-3-yl)propanenitrile
CID 82491568
1-[(1S,3S)-3-methoxycyclopentyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 99833373
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methoxy-1-(oxan-4-yl)ethanamine
CID 167950354

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea (CID 166249715) is 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea is Cc1[nH]c2cc(F)ccc2c1CCNC(=O)NCC1CC(N(C)C)C1.
What is the InChIKey of 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is FOFLRGLLOZLNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-12-16(17-5-4-14(20)10-18(17)23-12)6-7-21-19(25)22-11-13-8-15(9-13)24(2)3/h4-5,10,13,15,23H,6-9,11H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea?
1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 346.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)cyclobutyl]methyl]-3-[2-(6-fluoro-2-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 166249715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).