2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide

C19H30N2O3 — CID 43916472

IUPAC2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H30N2O3/c1-4-18(24-17-7-6-15(2)16(3)14-17)19(22)20-8-5-9-21-10-12-23-13-11-21/h6-7,14,18H,4-5,8-13H2,1-3H3,(H,20,22)
InChIKeyTZVDFUNVLJQGFU-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.30
Rot. Bonds8

About 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide

2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide (PubChem CID 43916472) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
PubChem CID43916472
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide
SMILESCCC(Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H30N2O3/c1-4-18(24-17-7-6-15(2)16(3)14-17)19(22)20-8-5-9-21-10-12-23-13-11-21/h6-7,14,18H,4-5,8-13H2,1-3H3,(H,20,22)
InChIKeyTZVDFUNVLJQGFU-UHFFFAOYSA-N
XLogP2.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.30
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

(2R)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 93486880
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628
(2R)-N-(3-morpholin-4-ylpropyl)-2-naphthalen-1-yloxybutanamide
CID 38018264
2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 132760616
1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118782826
2-(3,4-dimethylphenoxy)-N-ethylbutanamide
CID 43916377
(2R)-N-[3-(azepan-1-yl)propyl]-2-(3-methylphenoxy)butanamide
CID 30399469
(2R)-2-(4-fluorophenoxy)-N-(3-piperidin-1-ylpropyl)butanamide
CID 28576885
(2S)-N-(3-piperidin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100569512
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
(2R)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 30386789
2-(3-methylphenoxy)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119393618

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide (CID 43916472) is 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide is CCC(Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide?
The InChIKey is TZVDFUNVLJQGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-18(24-17-7-6-15(2)16(3)14-17)19(22)20-8-5-9-21-10-12-23-13-11-21/h6-7,14,18H,4-5,8-13H2,1-3H3,(H,20,22).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide?
2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide has a molecular weight of 334.46 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)butanamide is sourced from PubChem (CID 43916472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).