methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate

C15H23N3O3 — CID 51088000

IUPACmethyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
SMILESCCN(c1ccc(NC(=O)CNC(=O)OC)cc1)C(C)C
InChIInChI=1S/C15H23N3O3/c1-5-18(11(2)3)13-8-6-12(7-9-13)17-14(19)10-16-15(20)21-4/h6-9,11H,5,10H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyACXIRFFGISDIEU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.22
Rot. Bonds6

About methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate

methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate (PubChem CID 51088000) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
PubChem CID51088000
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
SMILESCCN(c1ccc(NC(=O)CNC(=O)OC)cc1)C(C)C
InChIInChI=1S/C15H23N3O3/c1-5-18(11(2)3)13-8-6-12(7-9-13)17-14(19)10-16-15(20)21-4/h6-9,11H,5,10H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyACXIRFFGISDIEU-UHFFFAOYSA-N
XLogP2.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
4-amino-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-methoxybutanamide
CID 103155573
5-[4-[ethyl(propan-2-yl)amino]anilino]-5-oxopentanoic acid
CID 43399748
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
2-(3,4-dichlorophenyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 7892153
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 3683660
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79202648
3-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-methylpropanamide
CID 62727901
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46519873
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78866546

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate (CID 51088000) is methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate is CCN(c1ccc(NC(=O)CNC(=O)OC)cc1)C(C)C.
What is the InChIKey of methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate?
The InChIKey is ACXIRFFGISDIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(11(2)3)13-8-6-12(7-9-13)17-14(19)10-16-15(20)21-4/h6-9,11H,5,10H2,1-4H3,(H,16,20)(H,17,19).
What are the key properties of methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate?
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate has a molecular weight of 293.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 51088000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).