phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate

C24H25NO4 — CID 69379640

IUPACphenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
SMILESCOc1ccc(OC(CCN(C)C(=O)Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO4/c1-25(24(26)29-21-11-7-4-8-12-21)18-17-23(19-9-5-3-6-10-19)28-22-15-13-20(27-2)14-16-22/h3-16,23H,17-18H2,1-2H3
InChIKeyRFUCMQICXCYWDW-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.34
Rot. Bonds8

About phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate

phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate (PubChem CID 69379640) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
PubChem CID69379640
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namephenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
SMILESCOc1ccc(OC(CCN(C)C(=O)Oc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H25NO4/c1-25(24(26)29-21-11-7-4-8-12-21)18-17-23(19-9-5-3-6-10-19)28-22-15-13-20(27-2)14-16-22/h3-16,23H,17-18H2,1-2H3
InChIKeyRFUCMQICXCYWDW-UHFFFAOYSA-N
XLogP5.34
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
tert-butyl N-[(3R)-3-(2-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate
CID 142700885
phenyl N-butyl-N-methylcarbamate
CID 564973
(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
CID 45259199
[3-[3-(2-methoxypyrimidin-4-yl)phenoxy]-3-phenylpropyl]-methylcarbamic acid
CID 137371797
tert-butyl N-[3-[3-[benzoyl(methyl)amino]phenoxy]-3-phenylpropyl]-N-methylcarbamate
CID 151258384
S-[2-(dihydroxyamino)oxyethyl] N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]carbamothioate
CID 89169808
2-[[3-[4-(1,1-difluoroethyl)phenoxy]-3-phenylpropyl]-methylamino]acetic acid
CID 21301133
ethyl 2-[methyl-[3-phenyl-3-(4-phenylphenoxy)propyl]amino]acetate
CID 22225835
N-methyl-N-[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]acetamide
CID 124636638
methyl 3-fluoro-5-[(1S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-1-phenylpropoxy]pyridine-2-carboxylate
CID 156780484
2-[methyl-[3-phenyl-3-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propyl]amino]acetic acid
CID 22679172

Frequently Asked Questions

What is the IUPAC name of phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate (CID 69379640) is phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate is COc1ccc(OC(CCN(C)C(=O)Oc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
The InChIKey is RFUCMQICXCYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-25(24(26)29-21-11-7-4-8-12-21)18-17-23(19-9-5-3-6-10-19)28-22-15-13-20(27-2)14-16-22/h3-16,23H,17-18H2,1-2H3.
What are the key properties of phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate?
phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate has a molecular weight of 391.47 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[3-(4-methoxyphenoxy)-3-phenylpropyl]-N-methylcarbamate is sourced from PubChem (CID 69379640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).