N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide

C18H20N2O — CID 60939487

IUPACN-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C18H20N2O/c1-13(14-6-4-3-5-7-14)20(2)18(21)16-8-9-17-15(12-16)10-11-19-17/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyQIHFHSPWPQJANH-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.49
Rot. Bonds3

About N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide

N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 60939487) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID60939487
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(c1ccccc1)N(C)C(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C18H20N2O/c1-13(14-6-4-3-5-7-14)20(2)18(21)16-8-9-17-15(12-16)10-11-19-17/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyQIHFHSPWPQJANH-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(1S)-1-pyridin-4-ylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93375712
2-[2,3-dihydro-1H-indole-5-carbonyl(methyl)amino]propanoic acid
CID 55097185
2-[2,3-dihydro-1H-indole-5-carbonyl(propan-2-yl)amino]acetic acid
CID 61161820
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
N-ethyl-N-propan-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43265847
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
4-amino-N,3-dimethyl-N-(1-phenylethyl)benzamide
CID 60939381
N-ethyl-N-(2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43273795
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 60937969
N-methyl-N-(2-methylcyclohexyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 60938543
N-methyl-N-(1-pyridin-4-ylethyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998577
N-[(2S)-2-hydroxypropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 93083353

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 60939487) is N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide is CC(c1ccccc1)N(C)C(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is QIHFHSPWPQJANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(14-6-4-3-5-7-14)20(2)18(21)16-8-9-17-15(12-16)10-11-19-17/h3-9,12-13,19H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-phenylethyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 60939487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).