2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide

C25H32N4O2 — CID 14180996

IUPAC2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
SMILESCC(=O)NCc1ccc(CC(=O)NCCc2ccc3[nH]cc(CCN(C)C)c3c2)cc1
InChIInChI=1S/C25H32N4O2/c1-18(30)27-16-21-6-4-19(5-7-21)15-25(31)26-12-10-20-8-9-24-23(14-20)22(17-28-24)11-13-29(2)3/h4-9,14,17,28H,10-13,15-16H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyQOMBFGQBOYPZMJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.81
Rot. Bonds10

About 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide

2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide (PubChem CID 14180996) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
PubChem CID14180996
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide
SMILESCC(=O)NCc1ccc(CC(=O)NCCc2ccc3[nH]cc(CCN(C)C)c3c2)cc1
InChIInChI=1S/C25H32N4O2/c1-18(30)27-16-21-6-4-19(5-7-21)15-25(31)26-12-10-20-8-9-24-23(14-20)22(17-28-24)11-13-29(2)3/h4-9,14,17,28H,10-13,15-16H2,1-3H3,(H,26,31)(H,27,30)
InChIKeyQOMBFGQBOYPZMJ-UHFFFAOYSA-N
XLogP2.81
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethylamino]-2-oxoethyl]phenyl]acetamide
CID 14180980
N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]-4-[4-(methanesulfonamido)phenyl]butanamide
CID 14181006
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
N-[(2R)-1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]butan-2-yl]acetamide
CID 70821613
3-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide
CID 69189057
2-(4-methoxyphenyl)-N-[2-[3-[2-(methylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide;oxalic acid
CID 14181017
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18202739
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
N-[(Z)-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methylideneamino]acetamide
CID 70858282
2-[3-(dimethylamino)propylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 108995075
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 18117801

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide?
The IUPAC name of 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide (CID 14180996) is 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide is CC(=O)NCc1ccc(CC(=O)NCCc2ccc3[nH]cc(CCN(C)C)c3c2)cc1.
What is the InChIKey of 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide?
The InChIKey is QOMBFGQBOYPZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18(30)27-16-21-6-4-19(5-7-21)15-25(31)26-12-10-20-8-9-24-23(14-20)22(17-28-24)11-13-29(2)3/h4-9,14,17,28H,10-13,15-16H2,1-3H3,(H,26,31)(H,27,30).
What are the key properties of 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide?
2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide has a molecular weight of 420.56 g/mol, XLogP of 2.81, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)phenyl]-N-[2-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]ethyl]acetamide is sourced from PubChem (CID 14180996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).