4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide

C20H25N3O — CID 120565087

IUPAC4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C20H25N3O/c1-15(21)6-11-20(24)22-18-9-7-16(8-10-18)14-23-13-12-17-4-2-3-5-19(17)23/h2-5,7-10,15H,6,11-14,21H2,1H3,(H,22,24)
InChIKeyFRQJURBCQDZDSY-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.32
Rot. Bonds6

About 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide

4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide (PubChem CID 120565087) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
PubChem CID120565087
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide
SMILESCC(N)CCC(=O)Nc1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C20H25N3O/c1-15(21)6-11-20(24)22-18-9-7-16(8-10-18)14-23-13-12-17-4-2-3-5-19(17)23/h2-5,7-10,15H,6,11-14,21H2,1H3,(H,22,24)
InChIKeyFRQJURBCQDZDSY-UHFFFAOYSA-N
XLogP3.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119866785
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]pentanamide
CID 120565116
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
2-(2,3-dihydroindol-1-yl)-N-(4-methylphenyl)acetamide
CID 2402749
potassium 4-[4-(2,3-dihydroindol-1-ylmethyl)anilino]-3-(hydroxymethyl)-4-oxobutanoate
CID 167776232
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
CID 111053525
(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
CID 52608840
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide?
The IUPAC name of 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide (CID 120565087) is 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide is CC(N)CCC(=O)Nc1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide?
The InChIKey is FRQJURBCQDZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-15(21)6-11-20(24)22-18-9-7-16(8-10-18)14-23-13-12-17-4-2-3-5-19(17)23/h2-5,7-10,15H,6,11-14,21H2,1H3,(H,22,24).
What are the key properties of 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide?
4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide has a molecular weight of 323.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide is sourced from PubChem (CID 120565087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).