2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide

C27H40N2O3 — CID 68977864

IUPAC2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(OCCCN2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H40N2O3/c1-2-25(27-17-20-13-21(18-27)15-22(14-20)19-27)26(30)28-23-5-3-6-24(16-23)32-10-4-7-29-8-11-31-12-9-29/h3,5-6,16,20-22,25H,2,4,7-15,17-19H2,1H3,(H,28,30)
InChIKeyVWRVBQFLALWGPR-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.97
Rot. Bonds9

About 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide

2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide (PubChem CID 68977864) has the molecular formula C27H40N2O3 and a molecular weight of 440.63 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
PubChem CID68977864
Molecular FormulaC27H40N2O3
Molecular Weight440.63 g/mol
Exact Mass440.30
IUPAC Name2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(OCCCN2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H40N2O3/c1-2-25(27-17-20-13-21(18-27)15-22(14-20)19-27)26(30)28-23-5-3-6-24(16-23)32-10-4-7-29-8-11-31-12-9-29/h3,5-6,16,20-22,25H,2,4,7-15,17-19H2,1H3,(H,28,30)
InChIKeyVWRVBQFLALWGPR-UHFFFAOYSA-N
XLogP4.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 44590856
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 25014955
3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 25015202
2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
N-[3-[4-(4-acetylpiperazin-1-yl)butoxy]phenyl]-2-(1-tricyclo[3.3.1.03,7]nonanyl)acetamide
CID 163889427
2-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)-N-[4-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 145480495
1-(1-adamantyl)-3-[4-(4-morpholin-4-ylbutoxy)phenyl]urea
CID 70692218
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168
N-(3-hexoxyphenyl)adamantane-1-carboxamide
CID 54787334
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
1-[(2S)-4-morpholin-4-ylbutan-2-yl]-3-(3-phenoxyphenyl)urea
CID 97436919

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
The IUPAC name of 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide (CID 68977864) is 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
The canonical SMILES for 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide is CCC(C(=O)Nc1cccc(OCCCN2CCOCC2)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
The InChIKey is VWRVBQFLALWGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O3/c1-2-25(27-17-20-13-21(18-27)15-22(14-20)19-27)26(30)28-23-5-3-6-24(16-23)32-10-4-7-29-8-11-31-12-9-29/h3,5-6,16,20-22,25H,2,4,7-15,17-19H2,1H3,(H,28,30).
What are the key properties of 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide has a molecular weight of 440.63 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide is sourced from PubChem (CID 68977864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).