6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

C32H57N5O5 — CID 163138321

IUPAC6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide
SMILESCOC1CCC(CCN2C(N)C(C(=O)NCCC3CCC(OC)C(OC)C3)CC3C(=O)N4CCCC(C)C4NC32)CC1
InChIInChI=1S/C32H57N5O5/c1-20-6-5-16-37-29(20)35-30-25(32(37)39)19-24(28(33)36(30)17-14-21-7-10-23(40-2)11-8-21)31(38)34-15-13-22-9-12-26(41-3)27(18-22)42-4/h20-30,35H,5-19,33H2,1-4H3,(H,34,38)
InChIKeyKYAJISACHWCBGL-UHFFFAOYSA-N
MW591.84 g/mol
LogP2.65
Rot. Bonds10

About 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide (PubChem CID 163138321) has the molecular formula C32H57N5O5 and a molecular weight of 591.84 g/mol. Its IUPAC name is 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide
PubChem CID163138321
Molecular FormulaC32H57N5O5
Molecular Weight591.84 g/mol
Exact Mass591.44
IUPAC Name6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide
SMILESCOC1CCC(CCN2C(N)C(C(=O)NCCC3CCC(OC)C(OC)C3)CC3C(=O)N4CCCC(C)C4NC32)CC1
InChIInChI=1S/C32H57N5O5/c1-20-6-5-16-37-29(20)35-30-25(32(37)39)19-24(28(33)36(30)17-14-21-7-10-23(40-2)11-8-21)31(38)34-15-13-22-9-12-26(41-3)27(18-22)42-4/h20-30,35H,5-19,33H2,1-4H3,(H,34,38)
InChIKeyKYAJISACHWCBGL-UHFFFAOYSA-N
XLogP2.65
TPSA118.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.84
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
The IUPAC name of 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide (CID 163138321) is 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide.
What is the SMILES notation for 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
The canonical SMILES for 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide is COC1CCC(CCN2C(N)C(C(=O)NCCC3CCC(OC)C(OC)C3)CC3C(=O)N4CCCC(C)C4NC32)CC1.
What is the InChIKey of 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
The InChIKey is KYAJISACHWCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57N5O5/c1-20-6-5-16-37-29(20)35-30-25(32(37)39)19-24(28(33)36(30)17-14-21-7-10-23(40-2)11-8-21)31(38)34-15-13-22-9-12-26(41-3)27(18-22)42-4/h20-30,35H,5-19,33H2,1-4H3,(H,34,38).
What are the key properties of 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide?
6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide has a molecular weight of 591.84 g/mol, XLogP of 2.65, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-(3,4-dimethoxycyclohexyl)ethyl]-7-[2-(4-methoxycyclohexyl)ethyl]-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide is sourced from PubChem (CID 163138321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).