(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide

C22H36N2O4 — CID 100723548

IUPAC(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
SMILESCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C22H36N2O4/c1-5-28-22(4,17-18(2)3)21(25)23-19-7-9-20(10-8-19)27-14-6-11-24-12-15-26-16-13-24/h7-10,18H,5-6,11-17H2,1-4H3,(H,23,25)/t22-/m0/s1
InChIKeyLPTWUHFKDVOUKR-QFIPXVFZSA-N
MW392.54 g/mol
LogP3.57
Rot. Bonds11

About (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide

(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide (PubChem CID 100723548) has the molecular formula C22H36N2O4 and a molecular weight of 392.54 g/mol. Its IUPAC name is (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
PubChem CID100723548
Molecular FormulaC22H36N2O4
Molecular Weight392.54 g/mol
Exact Mass392.27
IUPAC Name(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
SMILESCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C22H36N2O4/c1-5-28-22(4,17-18(2)3)21(25)23-19-7-9-20(10-8-19)27-14-6-11-24-12-15-26-16-13-24/h7-10,18H,5-6,11-17H2,1-4H3,(H,23,25)/t22-/m0/s1
InChIKeyLPTWUHFKDVOUKR-QFIPXVFZSA-N
XLogP3.57
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]butanamide
CID 133246288
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
CID 100700350
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
N-[4-[3-(azepan-1-yl)propoxy]phenyl]-2-methoxy-2,4-dimethylpentanamide
CID 133245923
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]butanamide
CID 133246297
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
N-[4-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 133246563
2-cyclopropyl-2-ethoxy-N-[4-(2-morpholin-4-ylethoxy)phenyl]propanamide
CID 133246889
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
2-ethoxy-2,4-dimethyl-N-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]pentanamide
CID 133246561

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide (CID 100723548) is (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide is CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide?
The InChIKey is LPTWUHFKDVOUKR-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H36N2O4/c1-5-28-22(4,17-18(2)3)21(25)23-19-7-9-20(10-8-19)27-14-6-11-24-12-15-26-16-13-24/h7-10,18H,5-6,11-17H2,1-4H3,(H,23,25)/t22-/m0/s1.
What are the key properties of (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide?
(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide has a molecular weight of 392.54 g/mol, XLogP of 3.57, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide is sourced from PubChem (CID 100723548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).