ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate

C20H23N3O4 — CID 47056940

IUPACethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate
SMILESCCOC(=O)N(C)CC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c1-3-27-20(26)23(2)14-18(24)21-13-15-8-7-9-16(12-15)19(25)22-17-10-5-4-6-11-17/h4-12H,3,13-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyISDLXGRVRZPAOS-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.64
Rot. Bonds7

About ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate

ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate (PubChem CID 47056940) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate
PubChem CID47056940
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Nameethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate
SMILESCCOC(=O)N(C)CC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C20H23N3O4/c1-3-27-20(26)23(2)14-18(24)21-13-15-8-7-9-16(12-15)19(25)22-17-10-5-4-6-11-17/h4-12H,3,13-14H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyISDLXGRVRZPAOS-UHFFFAOYSA-N
XLogP2.64
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(4-ethylphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466164
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
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3-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-N-phenylbenzamide
CID 47059686
3-[[[(2S)-2-phenoxypropanoyl]amino]methyl]-N-phenylbenzamide
CID 51947210
3-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]methyl]-N-phenylbenzamide
CID 46466168
N-[2-[[4-(carbamoylamino)phenyl]methylamino]-2-oxoethyl]-N-methylbenzamide
CID 86923192
[4-[(3-benzamidophenyl)methylcarbamoyl]phenyl] ethyl carbonate
CID 108932051
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
N-[3-[(2-anilino-2-oxoethyl)-methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55853540
ethyl 4-[[3-[(4-methylbenzoyl)amino]phenyl]methylamino]-4-oxobutanoate
CID 51121587
3-[[3-(3-bromo-4-methoxyphenyl)propanoylamino]methyl]-N-phenylbenzamide
CID 46466173

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate?
The IUPAC name of ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate (CID 47056940) is ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate is CCOC(=O)N(C)CC(=O)NCc1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate?
The InChIKey is ISDLXGRVRZPAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-27-20(26)23(2)14-18(24)21-13-15-8-7-9-16(12-15)19(25)22-17-10-5-4-6-11-17/h4-12H,3,13-14H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate?
ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[2-oxo-2-[[3-(phenylcarbamoyl)phenyl]methylamino]ethyl]carbamate is sourced from PubChem (CID 47056940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).