ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate

C16H22N2O3 — CID 76894068

IUPACethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-15(19)10-18(11(2)3)16(20)14-9-12-7-5-6-8-13(12)17-14/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyQPAMNYHLFPFBCI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.82
Rot. Bonds5

About ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate

ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate (PubChem CID 76894068) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
PubChem CID76894068
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-15(19)10-18(11(2)3)16(20)14-9-12-7-5-6-8-13(12)17-14/h5-8,11,14,17H,4,9-10H2,1-3H3
InChIKeyQPAMNYHLFPFBCI-UHFFFAOYSA-N
XLogP1.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate (CID 76894068) is ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)C1Cc2ccccc2N1)C(C)C.
What is the InChIKey of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
The InChIKey is QPAMNYHLFPFBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-15(19)10-18(11(2)3)16(20)14-9-12-7-5-6-8-13(12)17-14/h5-8,11,14,17H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate?
ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate has a molecular weight of 290.36 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,3-dihydro-1H-indole-2-carbonyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 76894068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).