N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

C14H20N4O2 — CID 83120583

IUPACN-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NCCNC(N)=O)c2ccccc2N1
InChIInChI=1S/C14H20N4O2/c1-9-8-11(10-4-2-3-5-12(10)18-9)13(19)16-6-7-17-14(15)20/h2-5,9,11,18H,6-8H2,1H3,(H,16,19)(H3,15,17,20)
InChIKeyBNAKUPNVTJOPHH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.76
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide

N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 83120583) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID83120583
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESCC1CC(C(=O)NCCNC(N)=O)c2ccccc2N1
InChIInChI=1S/C14H20N4O2/c1-9-8-11(10-4-2-3-5-12(10)18-9)13(19)16-6-7-17-14(15)20/h2-5,9,11,18H,6-8H2,1H3,(H,16,19)(H3,15,17,20)
InChIKeyBNAKUPNVTJOPHH-UHFFFAOYSA-N
XLogP0.76
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43310647
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43311061
N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24695751
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43823060
2-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24698002
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24697418
N-hexan-3-yl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 62117471
N-(1-methoxypropan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24693133
(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 93290068

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 83120583) is N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is CC1CC(C(=O)NCCNC(N)=O)c2ccccc2N1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is BNAKUPNVTJOPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-8-11(10-4-2-3-5-12(10)18-9)13(19)16-6-7-17-14(15)20/h2-5,9,11,18H,6-8H2,1H3,(H,16,19)(H3,15,17,20).
What are the key properties of N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide?
N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 83120583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).