[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate

C25H32N2O4 — CID 18009489

IUPAC[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)NC(C)C)CC1
InChIInChI=1S/C25H32N2O4/c1-18(2)27-24(29)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)17-26-23(28)21-11-7-8-12-22(21)30-3/h4-12,18,20H,13-17H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyLBBIORIJGUPNSP-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.44
Rot. Bonds7

About [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate

[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate (PubChem CID 18009489) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate
PubChem CID18009489
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate
SMILESCOc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)NC(C)C)CC1
InChIInChI=1S/C25H32N2O4/c1-18(2)27-24(29)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)17-26-23(28)21-11-7-8-12-22(21)30-3/h4-12,18,20H,13-17H2,1-3H3,(H,26,28)(H,27,29)
InChIKeyLBBIORIJGUPNSP-UHFFFAOYSA-N
XLogP4.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate?
The IUPAC name of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate (CID 18009489) is [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate?
The canonical SMILES for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate is COc1ccccc1C(=O)NCC1(c2ccccc2)CCC(OC(=O)NC(C)C)CC1.
What is the InChIKey of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate?
The InChIKey is LBBIORIJGUPNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-18(2)27-24(29)31-20-13-15-25(16-14-20,19-9-5-4-6-10-19)17-26-23(28)21-11-7-8-12-22(21)30-3/h4-12,18,20H,13-17H2,1-3H3,(H,26,28)(H,27,29).
What are the key properties of [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate?
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate has a molecular weight of 424.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 18009489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).