N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide

C17H25N3O — CID 119779419

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
SMILESCCc1cccc2c(CCNC(=O)CCCNC)c[nH]c12
InChIInChI=1S/C17H25N3O/c1-3-13-6-4-7-15-14(12-20-17(13)15)9-11-19-16(21)8-5-10-18-2/h4,6-7,12,18,20H,3,5,8-11H2,1-2H3,(H,19,21)
InChIKeyUMUFMJSPTXXATG-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.39
Rot. Bonds8

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide (PubChem CID 119779419) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
PubChem CID119779419
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
SMILESCCc1cccc2c(CCNC(=O)CCCNC)c[nH]c12
InChIInChI=1S/C17H25N3O/c1-3-13-6-4-7-15-14(12-20-17(13)15)9-11-19-16(21)8-5-10-18-2/h4,6-7,12,18,20H,3,5,8-11H2,1-2H3,(H,19,21)
InChIKeyUMUFMJSPTXXATG-UHFFFAOYSA-N
XLogP2.39
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 56787167
4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
4-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]butanamide
CID 119774506
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
2-[4-[2-[[2-(7-ethyl-1H-indol-3-yl)acetyl]amino]ethyl]phenoxy]acetic acid
CID 119255787
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111835579
(Z)-N-[2-(1H-indol-3-yl)ethyl]heptadec-9-enamide
CID 171117124
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111840154
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 56787168

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide (CID 119779419) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide is CCc1cccc2c(CCNC(=O)CCCNC)c[nH]c12.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide?
The InChIKey is UMUFMJSPTXXATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-13-6-4-7-15-14(12-20-17(13)15)9-11-19-16(21)8-5-10-18-2/h4,6-7,12,18,20H,3,5,8-11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide has a molecular weight of 287.41 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119779419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).