2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate

C19H23N3O3 — CID 86937858

IUPAC2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate
SMILESCCNC(=O)NCCOC(=O)c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-3-20-19(24)21-13-14-25-18(23)16-11-7-8-12-17(16)22(2)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H2,20,21,24)
InChIKeyPKRIGWIIRLGOQD-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds7

About 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate

2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate (PubChem CID 86937858) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate.

Molecular Properties

Compound Name2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate
PubChem CID86937858
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate
SMILESCCNC(=O)NCCOC(=O)c1ccccc1N(C)c1ccccc1
InChIInChI=1S/C19H23N3O3/c1-3-20-19(24)21-13-14-25-18(23)16-11-7-8-12-17(16)22(2)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H2,20,21,24)
InChIKeyPKRIGWIIRLGOQD-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylcarbamoylamino)ethyl 2-chloro-4-methylbenzoate
CID 100626423
N-methoxy-2-(N-methylanilino)benzamide
CID 47216174
N-(2-hydroxyethyl)-N-methyl-2-(N-methylanilino)benzamide
CID 110893882
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
N-[2-(methylamino)propyl]-2-(N-methylanilino)benzamide
CID 120832793
azane;ethyl 2-(dimethylamino)benzoate
CID 70426390
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 2-(N-methylanilino)benzoate
CID 166192356
N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-(N-methylanilino)benzamide
CID 55880097
methyl 2-(N-(2-chloroacetyl)anilino)benzoate
CID 13170986
heptyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 91720801
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide
CID 57046615
1-ethyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 47307518

Frequently Asked Questions

What is the IUPAC name of 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate?
The IUPAC name of 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate (CID 86937858) is 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate.
What is the SMILES notation for 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate?
The canonical SMILES for 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate is CCNC(=O)NCCOC(=O)c1ccccc1N(C)c1ccccc1.
What is the InChIKey of 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate?
The InChIKey is PKRIGWIIRLGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-20-19(24)21-13-14-25-18(23)16-11-7-8-12-17(16)22(2)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H2,20,21,24).
What are the key properties of 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate?
2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate has a molecular weight of 341.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylcarbamoylamino)ethyl 2-(N-methylanilino)benzoate is sourced from PubChem (CID 86937858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).