(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C14H19N3O2 — CID 61155725

IUPAC(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H19N3O2/c1-16(2)13(18)9-17(3)14(19)12-8-10-6-4-5-7-11(10)15-12/h4-7,12,15H,8-9H2,1-3H3/t12-/m0/s1
InChIKeySCPNFRUUWQOLSY-LBPRGKRZSA-N
MW261.32 g/mol
LogP0.57
Rot. Bonds3

About (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61155725) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61155725
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C14H19N3O2/c1-16(2)13(18)9-17(3)14(19)12-8-10-6-4-5-7-11(10)15-12/h4-7,12,15H,8-9H2,1-3H3/t12-/m0/s1
InChIKeySCPNFRUUWQOLSY-LBPRGKRZSA-N
XLogP0.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 61155725) is (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(C)C(=O)CN(C)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is SCPNFRUUWQOLSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16(2)13(18)9-17(3)14(19)12-8-10-6-4-5-7-11(10)15-12/h4-7,12,15H,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61155725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).