2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

C16H24N2O3 — CID 82256439

IUPAC2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCC1Cc2cc(C(=O)C(C)N(CCO)CCO)ccc2N1
InChIInChI=1S/C16H24N2O3/c1-11-9-14-10-13(3-4-15(14)17-11)16(21)12(2)18(5-7-19)6-8-20/h3-4,10-12,17,19-20H,5-9H2,1-2H3
InChIKeyAUKPJVXUQRKHRI-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.90
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one

2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (PubChem CID 82256439) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
PubChem CID82256439
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
SMILESCC1Cc2cc(C(=O)C(C)N(CCO)CCO)ccc2N1
InChIInChI=1S/C16H24N2O3/c1-11-9-14-10-13(3-4-15(14)17-11)16(21)12(2)18(5-7-19)6-8-20/h3-4,10-12,17,19-20H,5-9H2,1-2H3
InChIKeyAUKPJVXUQRKHRI-UHFFFAOYSA-N
XLogP0.90
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylethanone
CID 5309620
3-(1-Benzylpiperidin-4-yl)-1-(indolin-5-yl)propan-1-one
CID 10089125
N-[4-(2-pyrrolidin-1-yl-pentanoyl)phenyl]acetamide
CID 11277680
1-(Indolin-5-yl)-3-(1-(3-methylbenzyl)piperidin-4-yl)propan-1-one
CID 10451317
ethyl 4-[2-(2,3-dihydro-1H-indol-5-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 3242746
1-(1-Acetyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5307589
1-(2,3-Dihydro-1H-indol-5-yl)ethan-1-one
CID 253117
Benzastatin F
CID 139585722
N-[(1-Acetyl-2,3-dihydro-1H-indol-5-YL)methyl]-4-(diethylamino)benzamide
CID 16033219
(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 10016993
(2S)-2-[(2R)-2-hydroxy-1-methoxy-5,6-dimethylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
CID 12195494
Benzastatin G
CID 139583365

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one (CID 82256439) is 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is CC1Cc2cc(C(=O)C(C)N(CCO)CCO)ccc2N1.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
The InChIKey is AUKPJVXUQRKHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-14-10-13(3-4-15(14)17-11)16(21)12(2)18(5-7-19)6-8-20/h3-4,10-12,17,19-20H,5-9H2,1-2H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one?
2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 82256439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).