N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide

C34H60N2O4 — CID 22214703

IUPACN,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide
SMILESCCC(C)(COCC(=O)N(C1CCCCC1)C1CCCCC1)C(OC)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H60N2O4/c1-4-34(2,26-40-25-31(37)35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(39-3)33(38)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h27-30,32H,4-26H2,1-3H3
InChIKeyWZRDIHCKSKJHFO-UHFFFAOYSA-N
MW560.86 g/mol
LogP7.42
Rot. Bonds12

About N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide

N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide (PubChem CID 22214703) has the molecular formula C34H60N2O4 and a molecular weight of 560.86 g/mol. Its IUPAC name is N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide
PubChem CID22214703
Molecular FormulaC34H60N2O4
Molecular Weight560.86 g/mol
Exact Mass560.46
IUPAC NameN,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide
SMILESCCC(C)(COCC(=O)N(C1CCCCC1)C1CCCCC1)C(OC)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H60N2O4/c1-4-34(2,26-40-25-31(37)35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(39-3)33(38)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h27-30,32H,4-26H2,1-3H3
InChIKeyWZRDIHCKSKJHFO-UHFFFAOYSA-N
XLogP7.42
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.86
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide?
The IUPAC name of N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide (CID 22214703) is N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide.
What is the SMILES notation for N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide?
The canonical SMILES for N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide is CCC(C)(COCC(=O)N(C1CCCCC1)C1CCCCC1)C(OC)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide?
The InChIKey is WZRDIHCKSKJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N2O4/c1-4-34(2,26-40-25-31(37)35(27-17-9-5-10-18-27)28-19-11-6-12-20-28)32(39-3)33(38)36(29-21-13-7-14-22-29)30-23-15-8-16-24-30/h27-30,32H,4-26H2,1-3H3.
What are the key properties of N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide?
N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide has a molecular weight of 560.86 g/mol, XLogP of 7.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3-[[2-(dicyclohexylamino)-2-oxoethoxy]methyl]-2-methoxy-3-methylpentanamide is sourced from PubChem (CID 22214703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).