N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide

C19H26N2O2 — CID 125169183

IUPACN,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1ccc2c(ccn2CC)c1
InChIInChI=1S/C19H26N2O2/c1-3-20-11-10-15-13-16(8-9-18(15)20)19(22)21(4-2)14-17-7-5-6-12-23-17/h8-11,13,17H,3-7,12,14H2,1-2H3/t17-/m1/s1
InChIKeyUJENMJMOGWDNAZ-QGZVFWFLSA-N
MW314.43 g/mol
LogP3.69
Rot. Bonds5

About N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide

N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide (PubChem CID 125169183) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
PubChem CID125169183
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide
SMILESCCN(C[C@H]1CCCCO1)C(=O)c1ccc2c(ccn2CC)c1
InChIInChI=1S/C19H26N2O2/c1-3-20-11-10-15-13-16(8-9-18(15)20)19(22)21(4-2)14-17-7-5-6-12-23-17/h8-11,13,17H,3-7,12,14H2,1-2H3/t17-/m1/s1
InChIKeyUJENMJMOGWDNAZ-QGZVFWFLSA-N
XLogP3.69
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
1-(oxan-2-ylmethyl)indole-5-carboxylic acid
CID 63935795
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
N-ethyl-4-(4-methylpiperazin-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95130462
2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide?
The IUPAC name of N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide (CID 125169183) is N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide.
What is the SMILES notation for N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide?
The canonical SMILES for N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide is CCN(C[C@H]1CCCCO1)C(=O)c1ccc2c(ccn2CC)c1.
What is the InChIKey of N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide?
The InChIKey is UJENMJMOGWDNAZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-20-11-10-15-13-16(8-9-18(15)20)19(22)21(4-2)14-17-7-5-6-12-23-17/h8-11,13,17H,3-7,12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide?
N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-[[(2R)-oxan-2-yl]methyl]indole-5-carboxamide is sourced from PubChem (CID 125169183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).