methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate

C13H18N2O3 — CID 113057469

IUPACmethyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-10-5-4-6-12(9-10)15(11(2)16)8-7-14-13(17)18-3/h4-6,9H,7-8H2,1-3H3,(H,14,17)
InChIKeyLIILJABBHBJBPB-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.70
Rot. Bonds4

About methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate

methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate (PubChem CID 113057469) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
PubChem CID113057469
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate
SMILESCOC(=O)NCCN(C(C)=O)c1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-10-5-4-6-12(9-10)15(11(2)16)8-7-14-13(17)18-3/h4-6,9H,7-8H2,1-3H3,(H,14,17)
InChIKeyLIILJABBHBJBPB-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[acetyl-[2-(methoxycarbonylamino)ethyl]amino]benzoate
CID 113061991
N-[2-(N-acetyl-3-methylanilino)ethyl]butanamide
CID 113057406
methyl N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]carbamate
CID 113060022
methyl N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]carbamate
CID 113063574
3-(N-acetyl-3-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113123741
N-[2-(N-acetyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 113057415
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
methyl N-[2-(N-acetyl-4-fluoroanilino)ethyl]carbamate
CID 113059341
methyl N-[2-(N-acetyl-4-ethylanilino)ethyl]carbamate
CID 113058449
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate?
The IUPAC name of methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate (CID 113057469) is methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate is COC(=O)NCCN(C(C)=O)c1cccc(C)c1.
What is the InChIKey of methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate?
The InChIKey is LIILJABBHBJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-10-5-4-6-12(9-10)15(11(2)16)8-7-14-13(17)18-3/h4-6,9H,7-8H2,1-3H3,(H,14,17).
What are the key properties of methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate?
methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(N-acetyl-3-methylanilino)ethyl]carbamate is sourced from PubChem (CID 113057469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).