[1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate

C20H24N2O6 — CID 174829596

IUPAC[1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate
SMILESCOc1cc(N(C)C(=O)C(Cc2ccccc2)OC(N)=O)cc(OC)c1OC
InChIInChI=1S/C20H24N2O6/c1-22(14-11-15(25-2)18(27-4)16(12-14)26-3)19(23)17(28-20(21)24)10-13-8-6-5-7-9-13/h5-9,11-12,17H,10H2,1-4H3,(H2,21,24)
InChIKeyMLFNANIBAABBLX-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.38
Rot. Bonds8

About [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate

[1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate (PubChem CID 174829596) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate.

Molecular Properties

Compound Name[1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate
PubChem CID174829596
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name[1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate
SMILESCOc1cc(N(C)C(=O)C(Cc2ccccc2)OC(N)=O)cc(OC)c1OC
InChIInChI=1S/C20H24N2O6/c1-22(14-11-15(25-2)18(27-4)16(12-14)26-3)19(23)17(28-20(21)24)10-13-8-6-5-7-9-13/h5-9,11-12,17H,10H2,1-4H3,(H2,21,24)
InChIKeyMLFNANIBAABBLX-UHFFFAOYSA-N
XLogP2.38
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl] carbamate
CID 175073150
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl]carbamate
CID 118047704
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
2-amino-N-methyl-2-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 120593249
carbamoyl 2-carbamoyloxy-3-phenylpropanoate
CID 158081056
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
(2S)-2-amino-N,3,3-trimethyl-N-(3,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119802002
2-amino-N-methyl-2-(4-methylphenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 120668821
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
[(2S)-1-(dibenzylamino)-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572185
methyl (2S)-2-[benzyl-(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 71905565

Frequently Asked Questions

What is the IUPAC name of [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate?
The IUPAC name of [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate (CID 174829596) is [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate.
What is the SMILES notation for [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate?
The canonical SMILES for [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate is COc1cc(N(C)C(=O)C(Cc2ccccc2)OC(N)=O)cc(OC)c1OC.
What is the InChIKey of [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate?
The InChIKey is MLFNANIBAABBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-22(14-11-15(25-2)18(27-4)16(12-14)26-3)19(23)17(28-20(21)24)10-13-8-6-5-7-9-13/h5-9,11-12,17H,10H2,1-4H3,(H2,21,24).
What are the key properties of [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate?
[1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate has a molecular weight of 388.42 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-3-phenyl-1-(3,4,5-trimethoxy-N-methylanilino)propan-2-yl] carbamate is sourced from PubChem (CID 174829596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).