N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide

C24H32N2O5 — CID 16762834

IUPACN-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide
SMILESCOc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C24H32N2O5/c1-29-21-11-19(2-3-20(21)31-15-22(27)26-4-6-30-7-5-26)25-23(28)24-12-16-8-17(13-24)10-18(9-16)14-24/h2-3,11,16-18H,4-10,12-15H2,1H3,(H,25,28)
InChIKeyPDZYZFUIYKUFNT-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.09
Rot. Bonds6

About N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide

N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide (PubChem CID 16762834) has the molecular formula C24H32N2O5 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide
PubChem CID16762834
Molecular FormulaC24H32N2O5
Molecular Weight428.53 g/mol
Exact Mass428.23
IUPAC NameN-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide
SMILESCOc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C24H32N2O5/c1-29-21-11-19(2-3-20(21)31-15-22(27)26-4-6-30-7-5-26)25-23(28)24-12-16-8-17(13-24)10-18(9-16)14-24/h2-3,11,16-18H,4-10,12-15H2,1H3,(H,25,28)
InChIKeyPDZYZFUIYKUFNT-UHFFFAOYSA-N
XLogP3.09
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide (CID 16762834) is N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide is COc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide?
The InChIKey is PDZYZFUIYKUFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O5/c1-29-21-11-19(2-3-20(21)31-15-22(27)26-4-6-30-7-5-26)25-23(28)24-12-16-8-17(13-24)10-18(9-16)14-24/h2-3,11,16-18H,4-10,12-15H2,1H3,(H,25,28).
What are the key properties of N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide?
N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 16762834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).