[1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate

C24H33N3O5 — CID 68964815

IUPAC[1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2ccc(CC(C)(C)OC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O5/c1-6-17(7-2)26-23(29)27-18-10-13-20(21(14-18)30-5)31-19-11-8-16(9-12-19)15-24(3,4)32-22(25)28/h8-14,17H,6-7,15H2,1-5H3,(H2,25,28)(H2,26,27,29)
InChIKeyTZMUEHZAKCIZHE-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.21
Rot. Bonds10

About [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate

[1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate (PubChem CID 68964815) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate.

Molecular Properties

Compound Name[1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate
PubChem CID68964815
Molecular FormulaC24H33N3O5
Molecular Weight443.54 g/mol
Exact Mass443.24
IUPAC Name[1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate
SMILESCCC(CC)NC(=O)Nc1ccc(Oc2ccc(CC(C)(C)OC(N)=O)cc2)c(OC)c1
InChIInChI=1S/C24H33N3O5/c1-6-17(7-2)26-23(29)27-18-10-13-20(21(14-18)30-5)31-19-11-8-16(9-12-19)15-24(3,4)32-22(25)28/h8-14,17H,6-7,15H2,1-5H3,(H2,25,28)(H2,26,27,29)
InChIKeyTZMUEHZAKCIZHE-UHFFFAOYSA-N
XLogP5.21
TPSA111.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate with MolForge

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Related Compounds

methyl 2-(4-aminophenoxy)-5-(pentan-3-ylcarbamoylamino)benzoate
CID 143491866
[1-[3-methoxy-4-(4-nitrophenoxy)phenyl]-2-methylpropan-2-yl] carbamate
CID 68969954
N-[1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]piperidin-4-yl]oxybenzamide
CID 87637798
1-[3-methoxy-4-(2-methyl-4-nitrophenoxy)phenyl]-3-pentan-3-ylurea
CID 68968377
N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-(2-methyl-1-piperidin-4-ylpropoxy)benzamide
CID 68969075
N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-4-[(1-propan-2-ylpiperidin-4-yl)methoxy]benzamide
CID 68969074
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 100782698
4-(8-azabicyclo[3.2.1]octan-1-yloxy)-N-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]benzamide
CID 68968800
1-(3,4-dimethoxyphenyl)-3-[(4-ethoxyphenyl)methyl]urea
CID 108884279
1-[1-(4-chlorophenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 108879704
1-[1-(4-methoxyphenyl)propyl]-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825774
[1-[4-[(2-bromoacetyl)amino]phenyl]-2-methylpropan-2-yl] carbamate
CID 151464602

Frequently Asked Questions

What is the IUPAC name of [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate?
The IUPAC name of [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate (CID 68964815) is [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate.
What is the SMILES notation for [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate?
The canonical SMILES for [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate is CCC(CC)NC(=O)Nc1ccc(Oc2ccc(CC(C)(C)OC(N)=O)cc2)c(OC)c1.
What is the InChIKey of [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate?
The InChIKey is TZMUEHZAKCIZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O5/c1-6-17(7-2)26-23(29)27-18-10-13-20(21(14-18)30-5)31-19-11-8-16(9-12-19)15-24(3,4)32-22(25)28/h8-14,17H,6-7,15H2,1-5H3,(H2,25,28)(H2,26,27,29).
What are the key properties of [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate?
[1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate has a molecular weight of 443.54 g/mol, XLogP of 5.21, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[2-methoxy-4-(pentan-3-ylcarbamoylamino)phenoxy]phenyl]-2-methylpropan-2-yl] carbamate is sourced from PubChem (CID 68964815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).