N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide

C15H21ClN2O2 — CID 960696

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(2)9-15(19)17-12-3-4-14(13(16)10-12)18-5-7-20-8-6-18/h3-4,10-11H,5-9H2,1-2H3,(H,17,19)
InChIKeyFWYHWSXWXPXKND-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.16
Rot. Bonds4

About N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide

N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide (PubChem CID 960696) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
PubChem CID960696
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(2)9-15(19)17-12-3-4-14(13(16)10-12)18-5-7-20-8-6-18/h3-4,10-11H,5-9H2,1-2H3,(H,17,19)
InChIKeyFWYHWSXWXPXKND-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-methylbutanamide
CID 7678438
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2981140
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
CID 19631195
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 4677515
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]butanamide
CID 823754
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1295863
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-thiophen-2-ylethylideneamino)oxyacetamide
CID 3841241
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
N-(3-chloro-4-morpholin-4-ylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 3863811

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide (CID 960696) is N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide?
The InChIKey is FWYHWSXWXPXKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(2)9-15(19)17-12-3-4-14(13(16)10-12)18-5-7-20-8-6-18/h3-4,10-11H,5-9H2,1-2H3,(H,17,19).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide has a molecular weight of 296.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 960696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).