N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide

C19H31N3O2 — CID 7496780

IUPACN-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-15(2)13-19(23)20-14-18(22-9-11-24-12-10-22)16-5-7-17(8-6-16)21(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/t18-/m0/s1
InChIKeySDUQHMBOJQISQO-SFHVURJKSA-N
MW333.48 g/mol
LogP2.29
Rot. Bonds7

About N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide (PubChem CID 7496780) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide
PubChem CID7496780
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-15(2)13-19(23)20-14-18(22-9-11-24-12-10-22)16-5-7-17(8-6-16)21(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/t18-/m0/s1
InChIKeySDUQHMBOJQISQO-SFHVURJKSA-N
XLogP2.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-phenylbutanamide
CID 110420650
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide
CID 7496635
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 7496663
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-prop-2-enyloxamide
CID 7644877
2-(4-acetylpiperazin-1-yl)-N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-oxoacetamide
CID 7192728
N'-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methoxyethyl)oxamide
CID 7644897
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2,6-difluorobenzamide
CID 7496717

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide?
The IUPAC name of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide (CID 7496780) is N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide?
The canonical SMILES for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide is CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide?
The InChIKey is SDUQHMBOJQISQO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(2)13-19(23)20-14-18(22-9-11-24-12-10-22)16-5-7-17(8-6-16)21(3)4/h5-8,15,18H,9-14H2,1-4H3,(H,20,23)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide?
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide has a molecular weight of 333.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide is sourced from PubChem (CID 7496780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).