4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide

C18H27N3O3 — CID 120564052

IUPAC4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide
SMILESCOc1cc(OC)c2cc(CCCNC(=O)CCC(C)N)[nH]c2c1
InChIInChI=1S/C18H27N3O3/c1-12(19)6-7-18(22)20-8-4-5-13-9-15-16(21-13)10-14(23-2)11-17(15)24-3/h9-12,21H,4-8,19H2,1-3H3,(H,20,22)
InChIKeyOSJYBBBUWKAAFV-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.36
Rot. Bonds9

About 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide

4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide (PubChem CID 120564052) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide
PubChem CID120564052
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide
SMILESCOc1cc(OC)c2cc(CCCNC(=O)CCC(C)N)[nH]c2c1
InChIInChI=1S/C18H27N3O3/c1-12(19)6-7-18(22)20-8-4-5-13-9-15-16(21-13)10-14(23-2)11-17(15)24-3/h9-12,21H,4-8,19H2,1-3H3,(H,20,22)
InChIKeyOSJYBBBUWKAAFV-UHFFFAOYSA-N
XLogP2.36
TPSA89.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine
CID 111975104
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2,3-dimethylguanidine;hydroiodide
CID 111975103
1-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111975568
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71858625
2-[[[3-(4,6-dimethoxy-1H-indol-2-yl)propylamino]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110033508
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1-hexylguanidine;hydroiodide
CID 111975538
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]guanidine;hydroiodide
CID 111975101
4-amino-N-[2-(3,5-dimethoxyphenoxy)ethyl]pentanamide
CID 120564115
2-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]-1,3-diethylguanidine
CID 111975112
ethyl 4-[[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111975528
tert-butyl 4-[N'-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111975546

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide?
The IUPAC name of 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide (CID 120564052) is 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide.
What is the SMILES notation for 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide?
The canonical SMILES for 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide is COc1cc(OC)c2cc(CCCNC(=O)CCC(C)N)[nH]c2c1.
What is the InChIKey of 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide?
The InChIKey is OSJYBBBUWKAAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(19)6-7-18(22)20-8-4-5-13-9-15-16(21-13)10-14(23-2)11-17(15)24-3/h9-12,21H,4-8,19H2,1-3H3,(H,20,22).
What are the key properties of 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide?
4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide has a molecular weight of 333.43 g/mol, XLogP of 2.36, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4,6-dimethoxy-1H-indol-2-yl)propyl]pentanamide is sourced from PubChem (CID 120564052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).