N-[1-(1-methylindol-3-yl)propan-2-yl]formamide

C13H16N2O — CID 166490360

IUPACN-[1-(1-methylindol-3-yl)propan-2-yl]formamide
SMILESCC(Cc1cn(C)c2ccccc12)NC=O
InChIInChI=1S/C13H16N2O/c1-10(14-9-16)7-11-8-15(2)13-6-4-3-5-12(11)13/h3-6,8-10H,7H2,1-2H3,(H,14,16)
InChIKeyHNGNVRSVIZQOQS-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.86
Rot. Bonds4

About N-[1-(1-methylindol-3-yl)propan-2-yl]formamide

N-[1-(1-methylindol-3-yl)propan-2-yl]formamide (PubChem CID 166490360) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[1-(1-methylindol-3-yl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(1-methylindol-3-yl)propan-2-yl]formamide
PubChem CID166490360
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[1-(1-methylindol-3-yl)propan-2-yl]formamide
SMILESCC(Cc1cn(C)c2ccccc12)NC=O
InChIInChI=1S/C13H16N2O/c1-10(14-9-16)7-11-8-15(2)13-6-4-3-5-12(11)13/h3-6,8-10H,7H2,1-2H3,(H,14,16)
InChIKeyHNGNVRSVIZQOQS-UHFFFAOYSA-N
XLogP1.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
tert-butyl 3-(2-formamidopropyl)indole-1-carboxylate
CID 166490368
3-[2-[1-(1-methylindol-3-yl)propan-2-ylamino]-2-oxoethyl]imidazole-4-carboxylic acid
CID 166303718
methanamine;2-(1-methylindol-3-yl)acetaldehyde
CID 145482195
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552
(2S)-2-hydroxy-5-methyl-1-(1-methylindol-3-yl)hexan-3-one
CID 154573734
4-(1-methylindol-3-yl)-N-propylbutan-2-amine
CID 107236535
2-amino-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 134497135
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylindol-3-yl)propan-2-yl]formamide?
The IUPAC name of N-[1-(1-methylindol-3-yl)propan-2-yl]formamide (CID 166490360) is N-[1-(1-methylindol-3-yl)propan-2-yl]formamide.
What is the SMILES notation for N-[1-(1-methylindol-3-yl)propan-2-yl]formamide?
The canonical SMILES for N-[1-(1-methylindol-3-yl)propan-2-yl]formamide is CC(Cc1cn(C)c2ccccc12)NC=O.
What is the InChIKey of N-[1-(1-methylindol-3-yl)propan-2-yl]formamide?
The InChIKey is HNGNVRSVIZQOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(14-9-16)7-11-8-15(2)13-6-4-3-5-12(11)13/h3-6,8-10H,7H2,1-2H3,(H,14,16).
What are the key properties of N-[1-(1-methylindol-3-yl)propan-2-yl]formamide?
N-[1-(1-methylindol-3-yl)propan-2-yl]formamide has a molecular weight of 216.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylindol-3-yl)propan-2-yl]formamide is sourced from PubChem (CID 166490360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).