N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide

C11H16N4O2 — CID 83114529

IUPACN-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCCNC(N)=O)cc1
InChIInChI=1S/C11H16N4O2/c1-13-9-4-2-8(3-5-9)10(16)14-6-7-15-11(12)17/h2-5,13H,6-7H2,1H3,(H,14,16)(H3,12,15,17)
InChIKeyGCUPNEYCFIGBBF-UHFFFAOYSA-N
MW236.28 g/mol
LogP0.13
Rot. Bonds5

About N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide

N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide (PubChem CID 83114529) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
PubChem CID83114529
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
SMILESCNc1ccc(C(=O)NCCNC(N)=O)cc1
InChIInChI=1S/C11H16N4O2/c1-13-9-4-2-8(3-5-9)10(16)14-6-7-15-11(12)17/h2-5,13H,6-7H2,1H3,(H,14,16)(H3,12,15,17)
InChIKeyGCUPNEYCFIGBBF-UHFFFAOYSA-N
XLogP0.13
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 50.13
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

3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
4-(methylamino)-N-(4-methylsulfanylbutyl)benzamide
CID 113488238
4-(methylamino)-N-[2-(4-methylphenyl)ethyl]benzamide
CID 115161110
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359
N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
N-[2-(carbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 83115078
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 55046818
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(2,2-dimethylpentyl)-4-(methylamino)benzamide
CID 115161129
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide (CID 83114529) is N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide is CNc1ccc(C(=O)NCCNC(N)=O)cc1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide?
The InChIKey is GCUPNEYCFIGBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-13-9-4-2-8(3-5-9)10(16)14-6-7-15-11(12)17/h2-5,13H,6-7H2,1H3,(H,14,16)(H3,12,15,17).
What are the key properties of N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide?
N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide has a molecular weight of 236.28 g/mol, XLogP of 0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide is sourced from PubChem (CID 83114529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).