N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide

C14H18N4O2 — CID 83114551

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N4O2/c1-18(2)14(20)17-8-7-16-13(19)11-3-4-12-10(9-11)5-6-15-12/h3-6,9,15H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYMIIPGRPSCVCMK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.17
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide

N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide (PubChem CID 83114551) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
PubChem CID83114551
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C14H18N4O2/c1-18(2)14(20)17-8-7-16-13(19)11-3-4-12-10(9-11)5-6-15-12/h3-6,9,15H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyYMIIPGRPSCVCMK-UHFFFAOYSA-N
XLogP1.17
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(methylamino)propyl]-1H-indole-5-carboxamide
CID 63749863
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
methyl 3-(1H-indole-5-carbonylamino)propanoate
CID 63718794
N-(6-hydroxyhexyl)-1H-indole-5-carboxamide
CID 103918779
N-prop-2-ynyl-1H-indole-5-carboxamide
CID 63717307
N-(3-methylsulfinylpropyl)-1H-indole-5-carboxamide
CID 115621267
N-(5-amino-5-oxopentyl)-1H-indole-5-carboxamide
CID 103896359
N-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 113282701
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
N-(2-piperazin-1-ylethyl)-1H-indole-5-carboxamide
CID 63747724
N-[3-(2-methylpropoxy)propyl]-1H-indole-5-carboxamide
CID 63718064
N-(2-ethyl-2-methylsulfanylbutyl)-1H-indole-5-carboxamide
CID 103709321

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide (CID 83114551) is N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide is CN(C)C(=O)NCCNC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide?
The InChIKey is YMIIPGRPSCVCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(2)14(20)17-8-7-16-13(19)11-3-4-12-10(9-11)5-6-15-12/h3-6,9,15H,7-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide?
N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 83114551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).