N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide

C20H24N2O3 — CID 51575263

IUPACN-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCCOC2=CC=C(C)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O3/c1-14-8-10-16(11-9-14)25-13-5-12-22-18-7-4-3-6-17(18)19(20(22)24)21-15(2)23/h3-4,6-8,10,19H,5,9,11-13H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyVRFSWCKCWSXIHL-IBGZPJMESA-N
MW340.42 g/mol
LogP3.24
Rot. Bonds6

About N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide

N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide (PubChem CID 51575263) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide
PubChem CID51575263
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide
SMILESCC(=O)N[C@@H]1C(=O)N(CCCOC2=CC=C(C)CC2)c2ccccc21
InChIInChI=1S/C20H24N2O3/c1-14-8-10-16(11-9-14)25-13-5-12-22-18-7-4-3-6-17(18)19(20(22)24)21-15(2)23/h3-4,6-8,10,19H,5,9,11-13H2,1-2H3,(H,21,23)/t19-/m0/s1
InChIKeyVRFSWCKCWSXIHL-IBGZPJMESA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide (CID 51575263) is N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide is CC(=O)N[C@@H]1C(=O)N(CCCOC2=CC=C(C)CC2)c2ccccc21.
What is the InChIKey of N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide?
The InChIKey is VRFSWCKCWSXIHL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-8-10-16(11-9-14)25-13-5-12-22-18-7-4-3-6-17(18)19(20(22)24)21-15(2)23/h3-4,6-8,10,19H,5,9,11-13H2,1-2H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide?
N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide has a molecular weight of 340.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[3-(4-methylcyclohexa-1,3-dien-1-yl)oxypropyl]-2-oxo-3H-indol-3-yl]acetamide is sourced from PubChem (CID 51575263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).