N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide

C13H15N3O2 — CID 123961243

IUPACN-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(C(N)=O)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-16(13(14)18)12(17)7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,14,18)
InChIKeyUSPBXKFMJHUUJK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.64
Rot. Bonds3

About N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide

N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide (PubChem CID 123961243) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
PubChem CID123961243
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide
SMILESCN(C(N)=O)C(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-16(13(14)18)12(17)7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,14,18)
InChIKeyUSPBXKFMJHUUJK-UHFFFAOYSA-N
XLogP1.64
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 60652678
N-(2-amino-2-oxoethyl)-3-(1H-indol-3-yl)-N-propan-2-ylpropanamide
CID 43397899
3-(1H-indol-3-yl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 42951930
3-(1H-indol-3-yl)-N-methyl-N-(2-methylsulfanylethyl)propanamide
CID 112698086
4-(1H-indol-3-yl)butanamide
CID 588715
1-(1H-indol-3-yl)hexan-3-one
CID 166814803
1-(1H-indol-3-yl)-4-methylpentan-3-one
CID 154964513
3-(1H-indol-3-yl)propanethioamide
CID 3979253
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one
CID 158100790
5-[2-(1H-indol-3-yl)ethyl-methylamino]-5-oxopentanoic acid
CID 23336462
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)propanamide
CID 79380294

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The IUPAC name of N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide (CID 123961243) is N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide.
What is the SMILES notation for N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The canonical SMILES for N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide is CN(C(N)=O)C(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide?
The InChIKey is USPBXKFMJHUUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16(13(14)18)12(17)7-6-9-8-15-11-5-3-2-4-10(9)11/h2-5,8,15H,6-7H2,1H3,(H2,14,18).
What are the key properties of N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide?
N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide has a molecular weight of 245.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-(1H-indol-3-yl)-N-methylpropanamide is sourced from PubChem (CID 123961243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).