ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate

C16H25N3O3 — CID 113001689

IUPACethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C16H25N3O3/c1-5-19(6-2)13-8-9-14(12(4)10-13)18-15(20)11-17-16(21)22-7-3/h8-10H,5-7,11H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyWSUOVFNURNFZNM-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.53
Rot. Bonds7

About ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate

ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate (PubChem CID 113001689) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
PubChem CID113001689
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Nameethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C16H25N3O3/c1-5-19(6-2)13-8-9-14(12(4)10-13)18-15(20)11-17-16(21)22-7-3/h8-10H,5-7,11H2,1-4H3,(H,17,21)(H,18,20)
InChIKeyWSUOVFNURNFZNM-UHFFFAOYSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-methylbutanamide
CID 113001640
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 113098982
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 113001657
4-amino-N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 22692306
2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 108992892
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001652
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-2-(3,4-dimethylanilino)acetamide
CID 109007443

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate (CID 113001689) is ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)Nc1ccc(N(CC)CC)cc1C.
What is the InChIKey of ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate?
The InChIKey is WSUOVFNURNFZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-19(6-2)13-8-9-14(12(4)10-13)18-15(20)11-17-16(21)22-7-3/h8-10H,5-7,11H2,1-4H3,(H,17,21)(H,18,20).
What are the key properties of ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate?
ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate has a molecular weight of 307.39 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 113001689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).