N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide

C18H29N3O2 — CID 7496635

IUPACN-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide
SMILESCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-4-5-18(22)19-14-17(21-10-12-23-13-11-21)15-6-8-16(9-7-15)20(2)3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyTVOXIHMBBOWEKY-QGZVFWFLSA-N
MW319.45 g/mol
LogP2.04
Rot. Bonds7

About N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide

N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide (PubChem CID 7496635) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide
PubChem CID7496635
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide
SMILESCCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-4-5-18(22)19-14-17(21-10-12-23-13-11-21)15-6-8-16(9-7-15)20(2)3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)/t17-/m1/s1
InChIKeyTVOXIHMBBOWEKY-QGZVFWFLSA-N
XLogP2.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.04
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-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-methylbutanamide
CID 7496780
N-[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 112506556
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 7496860
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 7645033
N-[2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-3-phenylbutanamide
CID 110420650
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)acetamide
CID 7496721
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-2-naphthalen-1-ylacetamide
CID 7496868
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]-2-phenoxyacetamide
CID 7496663
N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7644905
N-[2-(diethylamino)ethyl]-N'-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]oxamide
CID 7644835

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide?
The IUPAC name of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide (CID 7496635) is N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide.
What is the SMILES notation for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide?
The canonical SMILES for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide is CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCOCC1.
What is the InChIKey of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide?
The InChIKey is TVOXIHMBBOWEKY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-4-5-18(22)19-14-17(21-10-12-23-13-11-21)15-6-8-16(9-7-15)20(2)3/h6-9,17H,4-5,10-14H2,1-3H3,(H,19,22)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide?
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide has a molecular weight of 319.45 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(dimethylamino)phenyl]-2-morpholin-4-ylethyl]butanamide is sourced from PubChem (CID 7496635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).