(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate

C21H23N3O5 — CID 164609534

IUPAC(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(COc2ccccc2)Cn2ccnc2)c(OC)c1
InChIInChI=1S/C21H23N3O5/c1-26-17-8-9-19(20(12-17)27-2)23-21(25)29-18(13-24-11-10-22-15-24)14-28-16-6-4-3-5-7-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,25)
InChIKeyFIEXSOCEWVRGRW-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.60
Rot. Bonds9

About (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate

(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate (PubChem CID 164609534) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate.

Molecular Properties

Compound Name(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate
PubChem CID164609534
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OC(COc2ccccc2)Cn2ccnc2)c(OC)c1
InChIInChI=1S/C21H23N3O5/c1-26-17-8-9-19(20(12-17)27-2)23-21(25)29-18(13-24-11-10-22-15-24)14-28-16-6-4-3-5-7-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,25)
InChIKeyFIEXSOCEWVRGRW-UHFFFAOYSA-N
XLogP3.60
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-imidazol-1-yl-3-phenoxypropan-2-yl] 4-(trifluoromethyl)benzoate
CID 10221967
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-(2,4-dimethoxyphenyl)-3-[(2S)-1-phenoxypropan-2-yl]thiourea
CID 100750356
N-(1-imidazol-1-yl-3-phenoxypropan-2-yl)-4-iodobenzamide
CID 10225638
ethyl N-(2,4-dimethoxyphenyl)carbamate
CID 2741048
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047
3-(2,4-dimethoxyphenyl)-1-phenyl-1-pyridin-4-ylurea
CID 151817629
4-[1-(2,4-dimethoxyphenyl)-2-imidazol-1-ylethyl]sulfanylbenzoic acid;hydrochloride
CID 67833864
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
2-(2,4-dimethoxyphenyl)-2-imidazol-1-ylacetic acid
CID 70309960
N-(2,4-dimethoxyphenyl)-2-[2-(2-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27372451
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059

Frequently Asked Questions

What is the IUPAC name of (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate?
The IUPAC name of (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate (CID 164609534) is (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate.
What is the SMILES notation for (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate?
The canonical SMILES for (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate is COc1ccc(NC(=O)OC(COc2ccccc2)Cn2ccnc2)c(OC)c1.
What is the InChIKey of (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate?
The InChIKey is FIEXSOCEWVRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-26-17-8-9-19(20(12-17)27-2)23-21(25)29-18(13-24-11-10-22-15-24)14-28-16-6-4-3-5-7-16/h3-12,15,18H,13-14H2,1-2H3,(H,23,25).
What are the key properties of (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate?
(1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate has a molecular weight of 397.43 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imidazol-1-yl-3-phenoxypropan-2-yl) N-(2,4-dimethoxyphenyl)carbamate is sourced from PubChem (CID 164609534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).