methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate

C20H24N2O5 — CID 7270944

IUPACmethyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(OC[C@H](C)COc2ccccc2)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-15(13-26-17-7-5-4-6-8-17)14-27-18-10-9-16(11-19(18)24-2)12-21-22-20(23)25-3/h4-12,15H,13-14H2,1-3H3,(H,22,23)/b21-12-/t15-/m1/s1
InChIKeyWUUPORPFJXHWQE-OFNOZLENSA-N
MW372.42 g/mol
LogP3.48
Rot. Bonds9

About methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate

methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate (PubChem CID 7270944) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate
PubChem CID7270944
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1ccc(OC[C@H](C)COc2ccccc2)c(OC)c1
InChIInChI=1S/C20H24N2O5/c1-15(13-26-17-7-5-4-6-8-17)14-27-18-10-9-16(11-19(18)24-2)12-21-22-20(23)25-3/h4-12,15H,13-14H2,1-3H3,(H,22,23)/b21-12-/t15-/m1/s1
InChIKeyWUUPORPFJXHWQE-OFNOZLENSA-N
XLogP3.48
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(Z)-(4-butoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 9075566
methyl N-[(E)-[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 6910037
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
methyl N-[(Z)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]carbamate
CID 9075501
ethyl N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]carbamate
CID 2590100
N-[(Z)-[3-methoxy-4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]acetamide
CID 25237262
N-[(Z)-(3-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 7037969
(2S)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 98531368
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(3-propan-2-ylphenoxy)acetamide
CID 19182814
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
CID 9074141

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate (CID 7270944) is methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate is COC(=O)N/N=C\c1ccc(OC[C@H](C)COc2ccccc2)c(OC)c1.
What is the InChIKey of methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate?
The InChIKey is WUUPORPFJXHWQE-OFNOZLENSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-15(13-26-17-7-5-4-6-8-17)14-27-18-10-9-16(11-19(18)24-2)12-21-22-20(23)25-3/h4-12,15H,13-14H2,1-3H3,(H,22,23)/b21-12-/t15-/m1/s1.
What are the key properties of methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate?
methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate has a molecular weight of 372.42 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-[3-methoxy-4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylideneamino]carbamate is sourced from PubChem (CID 7270944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).