N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide

C22H37N3O2 — CID 42701623

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide
SMILESCCCCCC(=O)N(CCCN1CCOCC1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C22H37N3O2/c1-4-5-6-8-22(26)25(14-7-13-24-15-17-27-18-16-24)19-20-9-11-21(12-10-20)23(2)3/h9-12H,4-8,13-19H2,1-3H3
InChIKeyVQCBMJBQHTVCSS-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.38
Rot. Bonds11

About N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide

N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide (PubChem CID 42701623) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide
PubChem CID42701623
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide
SMILESCCCCCC(=O)N(CCCN1CCOCC1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C22H37N3O2/c1-4-5-6-8-22(26)25(14-7-13-24-15-17-27-18-16-24)19-20-9-11-21(12-10-20)23(2)3/h9-12H,4-8,13-19H2,1-3H3
InChIKeyVQCBMJBQHTVCSS-UHFFFAOYSA-N
XLogP3.38
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.38
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methylphenyl)-1-(3-morpholin-4-ylpropyl)urea
CID 42701638
1-[[4-(dimethylamino)phenyl]methyl]-3-[2,6-di(propan-2-yl)phenyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42701635
N-[[4-(dimethylamino)phenyl]methyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 42706400
ethyl 4-[[[4-(dimethylamino)phenyl]methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate
CID 4154052
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide
CID 5060616
N-(3-morpholin-4-ylpropyl)-N-[(3-phenoxyphenyl)methyl]butanamide
CID 42701309
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)octanamide
CID 3897940
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
N-(2-morpholin-4-ylethyl)-N-[(3-phenoxyphenyl)methyl]pentanamide
CID 42697864
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)hexanamide
CID 5007579
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide (CID 42701623) is N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide is CCCCCC(=O)N(CCCN1CCOCC1)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
The InChIKey is VQCBMJBQHTVCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-4-5-6-8-22(26)25(14-7-13-24-15-17-27-18-16-24)19-20-9-11-21(12-10-20)23(2)3/h9-12H,4-8,13-19H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide has a molecular weight of 375.56 g/mol, XLogP of 3.38, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-(3-morpholin-4-ylpropyl)hexanamide is sourced from PubChem (CID 42701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).