[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate

C16H21N3O3 — CID 175590036

IUPAC[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
SMILESCC(OC(N)=O)C(=O)n1cc(CCN(C)C)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-11(22-16(17)21)15(20)19-10-12(8-9-18(2)3)13-6-4-5-7-14(13)19/h4-7,10-11H,8-9H2,1-3H3,(H2,17,21)
InChIKeyFPXJZPHSSZKXDJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.87
Rot. Bonds5

About [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate

[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate (PubChem CID 175590036) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
PubChem CID175590036
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate
SMILESCC(OC(N)=O)C(=O)n1cc(CCN(C)C)c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-11(22-16(17)21)15(20)19-10-12(8-9-18(2)3)13-6-4-5-7-14(13)19/h4-7,10-11H,8-9H2,1-3H3,(H2,17,21)
InChIKeyFPXJZPHSSZKXDJ-UHFFFAOYSA-N
XLogP1.87
TPSA77.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yloxycarbonyl 3-[2-(dimethylamino)ethyl]indole-1-carboperoxoate
CID 166467483
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467171
[4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-3-methyl-4-oxobutyl] nitrate
CID 168852033
2-(dimethylamino)-1-[3-[2-(dimethylamino)ethyl]indol-1-yl]ethanone;hydrochloride
CID 166467543
methyl 4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-4-oxobutanoate
CID 166467362
2-amino-1-[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]-3-methylbutan-1-one
CID 166467388
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]hexadecan-1-one
CID 166138506
1-[3-[2-(dimethylamino)ethyl]indol-1-yl]octadecan-1-one
CID 166138351
6-[[3-[2-(dimethylamino)ethyl]indole-1-carbonyl]oxymethoxy]-6-oxohexanoic acid
CID 166467624
(1-methylazetidine-3-carbonyl)oxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467441
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467776
oxane-4-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]indole-1-carboxylate
CID 166467234

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate?
The IUPAC name of [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate (CID 175590036) is [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate is CC(OC(N)=O)C(=O)n1cc(CCN(C)C)c2ccccc21.
What is the InChIKey of [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate?
The InChIKey is FPXJZPHSSZKXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(22-16(17)21)15(20)19-10-12(8-9-18(2)3)13-6-4-5-7-14(13)19/h4-7,10-11H,8-9H2,1-3H3,(H2,17,21).
What are the key properties of [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate?
[1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate has a molecular weight of 303.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175590036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).