N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide

C13H15N3O2 — CID 142101410

IUPACN-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide
SMILESCN(C=O)C(CC1C=Nc2ccccc21)NC=O
InChIInChI=1S/C13H15N3O2/c1-16(9-18)13(15-8-17)6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7-10,13H,6H2,1H3,(H,15,17)
InChIKeyCDDTYPVLHLDHLY-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.04
Rot. Bonds6

About N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide

N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide (PubChem CID 142101410) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide
PubChem CID142101410
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide
SMILESCN(C=O)C(CC1C=Nc2ccccc21)NC=O
InChIInChI=1S/C13H15N3O2/c1-16(9-18)13(15-8-17)6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7-10,13H,6H2,1H3,(H,15,17)
InChIKeyCDDTYPVLHLDHLY-UHFFFAOYSA-N
XLogP1.04
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide?
The IUPAC name of N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide (CID 142101410) is N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide.
What is the SMILES notation for N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide?
The canonical SMILES for N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide is CN(C=O)C(CC1C=Nc2ccccc21)NC=O.
What is the InChIKey of N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide?
The InChIKey is CDDTYPVLHLDHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(9-18)13(15-8-17)6-10-7-14-12-5-3-2-4-11(10)12/h2-5,7-10,13H,6H2,1H3,(H,15,17).
What are the key properties of N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide?
N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide has a molecular weight of 245.28 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[formyl(methyl)amino]-2-(3H-indol-3-yl)ethyl]formamide is sourced from PubChem (CID 142101410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).