N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide

C21H25N3O — CID 112984004

IUPACN-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O/c1-2-3-8-21(25)24-18-11-9-17(10-12-18)22-14-13-16-15-23-20-7-5-4-6-19(16)20/h4-7,9-12,15,22-23H,2-3,8,13-14H2,1H3,(H,24,25)
InChIKeyUAAOWXSLJTVCGW-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.95
Rot. Bonds8

About N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide

N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide (PubChem CID 112984004) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
PubChem CID112984004
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H25N3O/c1-2-3-8-21(25)24-18-11-9-17(10-12-18)22-14-13-16-15-23-20-7-5-4-6-19(16)20/h4-7,9-12,15,22-23H,2-3,8,13-14H2,1H3,(H,24,25)
InChIKeyUAAOWXSLJTVCGW-UHFFFAOYSA-N
XLogP4.95
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 42021517
2-(4-acetamidoanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002483
N-(3-chloro-4-methylphenyl)-4-(1H-indol-3-yl)butanamide
CID 7900447
3-(1H-indol-3-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 27364914
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
4-[2-(1H-indol-3-yl)ethylamino]-N-pyridin-4-ylbenzamide
CID 59555813
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
3-(4-ethoxyanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027444
N-[1-(1H-indol-3-yl)-2-methylpropan-2-yl]pentanamide
CID 113086286
(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
CID 171117139
ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide?
The IUPAC name of N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide (CID 112984004) is N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide.
What is the SMILES notation for N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide?
The canonical SMILES for N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide is CCCCC(=O)Nc1ccc(NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide?
The InChIKey is UAAOWXSLJTVCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-3-8-21(25)24-18-11-9-17(10-12-18)22-14-13-16-15-23-20-7-5-4-6-19(16)20/h4-7,9-12,15,22-23H,2-3,8,13-14H2,1H3,(H,24,25).
What are the key properties of N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide?
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide has a molecular weight of 335.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide is sourced from PubChem (CID 112984004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).