methyl N-[3-(N-ethylanilino)propyl]carbamate

C13H20N2O2 — CID 22765561

IUPACmethyl N-[3-(N-ethylanilino)propyl]carbamate
SMILESCCN(CCCNC(=O)OC)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-15(12-8-5-4-6-9-12)11-7-10-14-13(16)17-2/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,14,16)
InChIKeyJYYXNRIRHUCVSA-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.26
Rot. Bonds6

About methyl N-[3-(N-ethylanilino)propyl]carbamate

methyl N-[3-(N-ethylanilino)propyl]carbamate (PubChem CID 22765561) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is methyl N-[3-(N-ethylanilino)propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-(N-ethylanilino)propyl]carbamate
PubChem CID22765561
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Namemethyl N-[3-(N-ethylanilino)propyl]carbamate
SMILESCCN(CCCNC(=O)OC)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-3-15(12-8-5-4-6-9-12)11-7-10-14-13(16)17-2/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,14,16)
InChIKeyJYYXNRIRHUCVSA-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(N-ethylanilino)propylurea
CID 112708177
2-(2-aminoethoxy)-N-[3-(N-ethylanilino)propyl]acetamide
CID 79473705
2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61259917
(2S)-2-amino-N-[3-(N-ethylanilino)propyl]-3-methylbutanamide
CID 61258840
3-(ethylamino)-N-[3-(N-ethylanilino)propyl]propanamide
CID 62834234
3-chloro-N-[3-(N-ethylanilino)propyl]-2,2-dimethylpropanamide
CID 63679963
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
2-amino-N-[3-(N-ethylanilino)propyl]pentanamide
CID 61260460
N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732
2-amino-N-[3-(N-ethylanilino)propyl]-2-phenylpropanamide
CID 120594854
1-[3-(N-ethylanilino)propyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110942288
N-[3-(N-ethylanilino)propyl]-5-(methoxymethyl)furan-2-carboxamide
CID 78840867

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-(N-ethylanilino)propyl]carbamate?
The IUPAC name of methyl N-[3-(N-ethylanilino)propyl]carbamate (CID 22765561) is methyl N-[3-(N-ethylanilino)propyl]carbamate.
What is the SMILES notation for methyl N-[3-(N-ethylanilino)propyl]carbamate?
The canonical SMILES for methyl N-[3-(N-ethylanilino)propyl]carbamate is CCN(CCCNC(=O)OC)c1ccccc1.
What is the InChIKey of methyl N-[3-(N-ethylanilino)propyl]carbamate?
The InChIKey is JYYXNRIRHUCVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15(12-8-5-4-6-9-12)11-7-10-14-13(16)17-2/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,14,16).
What are the key properties of methyl N-[3-(N-ethylanilino)propyl]carbamate?
methyl N-[3-(N-ethylanilino)propyl]carbamate has a molecular weight of 236.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-(N-ethylanilino)propyl]carbamate is sourced from PubChem (CID 22765561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).