methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate

C15H20N2O3 — CID 110672730

IUPACmethyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(2)16-15(19)17-9-11(8-14(18)20-3)12-6-4-5-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)
InChIKeyPMYSHQQVDNKYIG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.27
Rot. Bonds3

About methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate

methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate (PubChem CID 110672730) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
PubChem CID110672730
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)NC(C)C)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-10(2)16-15(19)17-9-11(8-14(18)20-3)12-6-4-5-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3,(H,16,19)
InChIKeyPMYSHQQVDNKYIG-UHFFFAOYSA-N
XLogP2.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672619
methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 146137347
methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate
CID 71032368
methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
CID 110672592
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
3-(1-benzylazetidin-3-yl)-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
CID 131673733
(1R,2aS,8bS)-2-benzyl-1-(hydroxymethyl)-N-propan-2-yl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide
CID 54653547
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate (CID 110672730) is methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(C(=O)NC(C)C)c2ccccc21.
What is the InChIKey of methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate?
The InChIKey is PMYSHQQVDNKYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)16-15(19)17-9-11(8-14(18)20-3)12-6-4-5-7-13(12)17/h4-7,10-11H,8-9H2,1-3H3,(H,16,19).
What are the key properties of methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate?
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate has a molecular weight of 276.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 110672730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).