1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea

C16H24N4O — CID 121496080

IUPAC1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
SMILESCN(C)CCCN(C)C(=O)NCc1cccc2[nH]ccc12
InChIInChI=1S/C16H24N4O/c1-19(2)10-5-11-20(3)16(21)18-12-13-6-4-7-15-14(13)8-9-17-15/h4,6-9,17H,5,10-12H2,1-3H3,(H,18,21)
InChIKeyZMGAAOYQJIIDMR-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.26
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea

1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea (PubChem CID 121496080) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
PubChem CID121496080
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea
SMILESCN(C)CCCN(C)C(=O)NCc1cccc2[nH]ccc12
InChIInChI=1S/C16H24N4O/c1-19(2)10-5-11-20(3)16(21)18-12-13-6-4-7-15-14(13)8-9-17-15/h4,6-9,17H,5,10-12H2,1-3H3,(H,18,21)
InChIKeyZMGAAOYQJIIDMR-UHFFFAOYSA-N
XLogP2.26
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-ylmethyl)propanamide
CID 176935116
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370
N,N-diethyl-4-[(1H-indol-4-ylmethylamino)methyl]benzamide
CID 119109918
N'-benzyl-N-(1H-indol-4-ylmethyl)-N'-methylethane-1,2-diamine
CID 119110220
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
N-(1H-indol-4-ylmethyl)-4-phenoxybenzamide
CID 171059896
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
3-ethoxy-4-(1H-indol-4-ylmethylamino)-N,N-dimethylbenzamide
CID 86814852
3-[(5-bromo-2-fluorophenyl)methyl]-1-[3-(dimethylamino)propyl]-1-methylurea
CID 84599997
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
1-[2-(1H-indol-3-yl)ethyl]-1-methyl-3-propylurea
CID 110749017

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea (CID 121496080) is 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea is CN(C)CCCN(C)C(=O)NCc1cccc2[nH]ccc12.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea?
The InChIKey is ZMGAAOYQJIIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-19(2)10-5-11-20(3)16(21)18-12-13-6-4-7-15-14(13)8-9-17-15/h4,6-9,17H,5,10-12H2,1-3H3,(H,18,21).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea?
1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea has a molecular weight of 288.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-(1H-indol-4-ylmethyl)-1-methylurea is sourced from PubChem (CID 121496080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).