3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide

C19H30N2O3 — CID 25015202

IUPAC3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)15-18(22)20-16-6-4-7-17(14-16)24-11-5-8-21-9-12-23-13-10-21/h4,6-7,14H,5,8-13,15H2,1-3H3,(H,20,22)
InChIKeyDYINMPOUZWTOHN-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.16
Rot. Bonds7

About 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide

3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide (PubChem CID 25015202) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
PubChem CID25015202
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
SMILESCC(C)(C)CC(=O)Nc1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)15-18(22)20-16-6-4-7-17(14-16)24-11-5-8-21-9-12-23-13-10-21/h4,6-7,14H,5,8-13,15H2,1-3H3,(H,20,22)
InChIKeyDYINMPOUZWTOHN-UHFFFAOYSA-N
XLogP3.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-morpholin-4-ylethyl N-(3-nonoxyphenyl)carbamate;hydrochloride
CID 3087063
1-(1-adamantyl)-3-[3-(3-morpholin-4-ylpropoxy)phenyl]urea
CID 25014955
2-(1-adamantyl)-2-hydroxy-N-[3-(3-morpholin-4-ylpropoxy)phenyl]acetamide
CID 44590856
2-(1-adamantyl)-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide
CID 68977864
3-[3-(1,4-oxazepan-4-yl)propoxy]benzoic acid
CID 63075111
3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
N-[3-(cyanomethoxy)phenyl]-3,3-dimethylbutanamide
CID 43369167
1-methyl-2-[3-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 123980826
N-(3-bromophenyl)-2-hydroxy-4-(3-morpholin-4-ylpropoxy)benzamide
CID 91937888
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide (CID 25015202) is 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide is CC(C)(C)CC(=O)Nc1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
The InChIKey is DYINMPOUZWTOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)15-18(22)20-16-6-4-7-17(14-16)24-11-5-8-21-9-12-23-13-10-21/h4,6-7,14H,5,8-13,15H2,1-3H3,(H,20,22).
What are the key properties of 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide?
3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide has a molecular weight of 334.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[3-(3-morpholin-4-ylpropoxy)phenyl]butanamide is sourced from PubChem (CID 25015202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).