N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide

C23H30N2O3 — CID 110352983

IUPACN-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)CCO1
InChIInChI=1S/C23H30N2O3/c1-15-14-25(5-6-28-15)21(26)19-3-2-4-20(10-19)24-22(27)23-11-16-7-17(12-23)9-18(8-16)13-23/h2-4,10,15-18H,5-9,11-14H2,1H3,(H,24,27)
InChIKeyKDYJBOMWGUYGDP-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.70
Rot. Bonds3

About N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide

N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide (PubChem CID 110352983) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
PubChem CID110352983
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)CCO1
InChIInChI=1S/C23H30N2O3/c1-15-14-25(5-6-28-15)21(26)19-3-2-4-20(10-19)24-22(27)23-11-16-7-17(12-23)9-18(8-16)13-23/h2-4,10,15-18H,5-9,11-14H2,1H3,(H,24,27)
InChIKeyKDYJBOMWGUYGDP-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 110671876
3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110426827
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110614500
N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 3152021
2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide
CID 110614506
N-[3-[4-(adamantane-1-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108547145
N-[3-(propan-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 35109336
(3-methoxyphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 51710348

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide (CID 110352983) is N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide is CC1CN(C(=O)c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)CCO1.
What is the InChIKey of N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
The InChIKey is KDYJBOMWGUYGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15-14-25(5-6-28-15)21(26)19-3-2-4-20(10-19)24-22(27)23-11-16-7-17(12-23)9-18(8-16)13-23/h2-4,10,15-18H,5-9,11-14H2,1H3,(H,24,27).
What are the key properties of N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide?
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide has a molecular weight of 382.50 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 110352983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).