N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide

C23H39N3O3 — CID 55521489

IUPACN-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)CC(CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C23H39N3O3/c1-16(2)7-20(26-3-5-29-6-4-26)14-24-21(27)15-25-22(28)23-11-17-8-18(12-23)10-19(9-17)13-23/h16-20H,3-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyCCUDELXKZRCTEG-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.18
Rot. Bonds8

About N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 55521489) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID55521489
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC NameN-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCC(C)CC(CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1
InChIInChI=1S/C23H39N3O3/c1-16(2)7-20(26-3-5-29-6-4-26)14-24-21(27)15-25-22(28)23-11-17-8-18(12-23)10-19(9-17)13-23/h16-20H,3-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyCCUDELXKZRCTEG-UHFFFAOYSA-N
XLogP2.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 61249539
N-(4-methyl-2-morpholin-4-ylpentyl)-2-pyrrolidin-2-ylacetamide
CID 61363910
1-(aminomethyl)-N-(4-methyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 115453115
N-(4-methyl-2-morpholin-4-ylpentyl)morpholine-4-carboxamide
CID 110403300
2-[(4-methyl-2-morpholin-4-ylpentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60940730
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
N-[2-oxo-2-[2-(4-phenylpiperazin-1-yl)propylamino]ethyl]adamantane-1-carboxamide
CID 55695142
5-amino-N-(4-methyl-2-morpholin-4-ylpentyl)hexanamide
CID 82849469
N-(2-methoxyethyl)-2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111935274
2,2,2-trifluoro-N-(4-methyl-2-morpholin-4-ylpentyl)acetamide
CID 62491437
3-fluoro-N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 78840417
4-ethoxy-N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]benzamide
CID 55520878

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 55521489) is N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide is CC(C)CC(CNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1.
What is the InChIKey of N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is CCUDELXKZRCTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-16(2)7-20(26-3-5-29-6-4-26)14-24-21(27)15-25-22(28)23-11-17-8-18(12-23)10-19(9-17)13-23/h16-20H,3-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 405.58 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-2-morpholin-4-ylpentyl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55521489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).