3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide

C13H20N4O2 — CID 83107775

IUPAC3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)N(C)C)cc1N
InChIInChI=1S/C13H20N4O2/c1-9-4-5-10(8-11(9)14)12(18)15-6-7-16-13(19)17(2)3/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyUJTANLBGVBHQSH-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.58
Rot. Bonds4

About 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide

3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide (PubChem CID 83107775) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
PubChem CID83107775
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)N(C)C)cc1N
InChIInChI=1S/C13H20N4O2/c1-9-4-5-10(8-11(9)14)12(18)15-6-7-16-13(19)17(2)3/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyUJTANLBGVBHQSH-UHFFFAOYSA-N
XLogP0.58
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.58
H-Bond Donors ≤ 53
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-[2-(dimethylcarbamoylamino)ethyl]-3-methylbenzamide
CID 83109029
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62059516
3-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-methylbenzamide
CID 54979034
4-[(3-amino-4-methylbenzoyl)amino]butanoic acid
CID 61158961
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
4-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115013
3-amino-4-methyl-N-pent-3-ynylbenzamide
CID 116642528
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-5-methylbenzamide
CID 83108048
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-3-hydroxybenzamide
CID 103958299
3-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115246
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzamide
CID 114614951
3-amino-N-(2-ethylsulfinylethyl)-4-methylbenzamide
CID 113266704

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide (CID 83107775) is 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide?
The InChIKey is UJTANLBGVBHQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-4-5-10(8-11(9)14)12(18)15-6-7-16-13(19)17(2)3/h4-5,8H,6-7,14H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide?
3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide has a molecular weight of 264.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 83107775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).