2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide

C18H19N3O — CID 3143286

IUPAC2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22)
InChIKeyLTLVOJXXQDFIPW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.35
Rot. Bonds5

About 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide

2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide (PubChem CID 3143286) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide
PubChem CID3143286
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide
SMILESNC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
InChIInChI=1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22)
InChIKeyLTLVOJXXQDFIPW-UHFFFAOYSA-N
XLogP2.35
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide (CID 3143286) is 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide is NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1.
What is the InChIKey of 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide?
The InChIKey is LTLVOJXXQDFIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-16(18(22)21-11-13-6-2-1-3-7-13)10-14-12-20-17-9-5-4-8-15(14)17/h1-9,12,16,20H,10-11,19H2,(H,21,22).
What are the key properties of 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide?
2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide has a molecular weight of 293.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 3143286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).