(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide

C21H26N2O2 — CID 52608840

IUPAC(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
SMILESCCO[C@H](C)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O2/c1-3-25-16(2)21(24)22-14-17-8-10-18(11-9-17)15-23-13-12-19-6-4-5-7-20(19)23/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyCDYFVIOPVJFSEE-MRXNPFEDSA-N
MW338.45 g/mol
LogP3.29
Rot. Bonds7

About (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide

(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide (PubChem CID 52608840) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
PubChem CID52608840
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
SMILESCCO[C@H](C)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C21H26N2O2/c1-3-25-16(2)21(24)22-14-17-8-10-18(11-9-17)15-23-13-12-19-6-4-5-7-20(19)23/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyCDYFVIOPVJFSEE-MRXNPFEDSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 55965309
2-chloro-N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46461248
N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46447030
(2R)-2-ethoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 95150276
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
CID 55678782
(2S)-N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-ethoxypropanamide
CID 95667067
2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119866785
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55675974
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
CID 120565087
tert-butyl N-[4-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]carbamate
CID 52585740
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
The IUPAC name of (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide (CID 52608840) is (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide.
What is the SMILES notation for (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
The canonical SMILES for (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide is CCO[C@H](C)C(=O)NCc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
The InChIKey is CDYFVIOPVJFSEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-25-16(2)21(24)22-14-17-8-10-18(11-9-17)15-23-13-12-19-6-4-5-7-20(19)23/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide?
(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide is sourced from PubChem (CID 52608840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).