(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide

C21H34N2O4 — CID 100700350

IUPAC(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C21H34N2O4/c1-4-5-11-21(2,25-3)20(24)22-18-7-9-19(10-8-18)27-15-6-12-23-13-16-26-17-14-23/h7-10H,4-6,11-17H2,1-3H3,(H,22,24)/t21-/m0/s1
InChIKeyCZEXFFPYOAEJNX-NRFANRHFSA-N
MW378.51 g/mol
LogP3.32
Rot. Bonds11

About (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide

(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide (PubChem CID 100700350) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
PubChem CID100700350
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C21H34N2O4/c1-4-5-11-21(2,25-3)20(24)22-18-7-9-19(10-8-18)27-15-6-12-23-13-16-26-17-14-23/h7-10H,4-6,11-17H2,1-3H3,(H,22,24)/t21-/m0/s1
InChIKeyCZEXFFPYOAEJNX-NRFANRHFSA-N
XLogP3.32
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.32
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

(2S)-2-methoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100701949
(2R)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]heptanamide
CID 100701698
(2S)-2-methoxy-2-methyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 100697324
(2S)-2-ethoxy-2,4-dimethyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]pentanamide
CID 100723548
2-cyclopropyl-2-methoxy-N-[4-(3-morpholin-4-ylpropoxy)phenyl]propanamide
CID 133246232
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
2-ethoxy-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]butanamide
CID 133246288
2-ethoxy-2-methyl-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pentanamide
CID 133246624
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014
(2S)-2-methoxy-2-methyl-N-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]heptanamide
CID 100702037
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide?
The IUPAC name of (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide (CID 100700350) is (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide?
The canonical SMILES for (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide is CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide?
The InChIKey is CZEXFFPYOAEJNX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-4-5-11-21(2,25-3)20(24)22-18-7-9-19(10-8-18)27-15-6-12-23-13-16-26-17-14-23/h7-10H,4-6,11-17H2,1-3H3,(H,22,24)/t21-/m0/s1.
What are the key properties of (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide?
(2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide has a molecular weight of 378.51 g/mol, XLogP of 3.32, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-methyl-N-[4-(3-morpholin-4-ylpropoxy)phenyl]hexanamide is sourced from PubChem (CID 100700350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).