3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide

C13H19N3O3 — CID 47201886

IUPAC3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
SMILESCOCCNC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)12(17)10-5-4-6-11(9-10)15-13(18)14-7-8-19-3/h4-6,9H,7-8H2,1-3H3,(H2,14,15,18)
InChIKeyKYFQGRZQOYRFFV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.16
Rot. Bonds5

About 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide

3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide (PubChem CID 47201886) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
PubChem CID47201886
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide
SMILESCOCCNC(=O)Nc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19N3O3/c1-16(2)12(17)10-5-4-6-11(9-10)15-13(18)14-7-8-19-3/h4-6,9H,7-8H2,1-3H3,(H2,14,15,18)
InChIKeyKYFQGRZQOYRFFV-UHFFFAOYSA-N
XLogP1.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(2-methoxyethyl)carbamoylamino]-N,N-dimethylbenzamide
CID 48744646
1-(2-methoxyethyl)-3-[3-(thiomorpholine-4-carbonyl)phenyl]urea
CID 49284029
1-[3-[ethyl(methyl)amino]phenyl]-3-(2-methoxyethyl)urea
CID 52887517
N-ethyl-3-(3-methoxypropylcarbamoylamino)benzamide
CID 47200679
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
1-[3-(1-aminoethyl)phenyl]-3-(2-methoxyethyl)urea
CID 61340896
2-hydroxyethyl N-[3-(dimethylcarbamoyl)phenyl]carbamate
CID 79345340
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
2-[3-(2-methoxyethylcarbamoylamino)phenoxy]acetic acid
CID 61186992
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17231899
4-(2-methoxyethylcarbamoylamino)-N-phenylbenzamide
CID 52793053
methyl 3-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052619

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide?
The IUPAC name of 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide (CID 47201886) is 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide is COCCNC(=O)Nc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide?
The InChIKey is KYFQGRZQOYRFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(2)12(17)10-5-4-6-11(9-10)15-13(18)14-7-8-19-3/h4-6,9H,7-8H2,1-3H3,(H2,14,15,18).
What are the key properties of 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide?
3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylcarbamoylamino)-N,N-dimethylbenzamide is sourced from PubChem (CID 47201886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).