4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide

C11H16N4O2 — CID 83108050

IUPAC4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCCNC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-6-8(12)2-3-9(7)10(16)14-4-5-15-11(13)17/h2-3,6H,4-5,12H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyNZHIFQHPTFFCBU-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.02
Rot. Bonds4

About 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide

4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide (PubChem CID 83108050) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
PubChem CID83108050
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide
SMILESCc1cc(N)ccc1C(=O)NCCNC(N)=O
InChIInChI=1S/C11H16N4O2/c1-7-6-8(12)2-3-9(7)10(16)14-4-5-15-11(13)17/h2-3,6H,4-5,12H2,1H3,(H,14,16)(H3,13,15,17)
InChIKeyNZHIFQHPTFFCBU-UHFFFAOYSA-N
XLogP-0.02
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-hydroxypentyl)-2-methylbenzamide
CID 107316298
4-amino-N-[2-(2-aminoethoxy)ethyl]-2-methylbenzamide
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CID 106425113
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
4-amino-2-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106413248
4-amino-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79551946
4-amino-N-(2-methoxypropyl)-2-methylbenzamide
CID 102694270
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 114536121
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
4-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methylbenzamide
CID 107843435

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide?
The IUPAC name of 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide (CID 83108050) is 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide.
What is the SMILES notation for 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide?
The canonical SMILES for 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide is Cc1cc(N)ccc1C(=O)NCCNC(N)=O.
What is the InChIKey of 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide?
The InChIKey is NZHIFQHPTFFCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-7-6-8(12)2-3-9(7)10(16)14-4-5-15-11(13)17/h2-3,6H,4-5,12H2,1H3,(H,14,16)(H3,13,15,17).
What are the key properties of 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide?
4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide has a molecular weight of 236.28 g/mol, XLogP of -0.02, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(carbamoylamino)ethyl]-2-methylbenzamide is sourced from PubChem (CID 83108050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).