(1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine

C30H37N3O2 — CID 20734607

IUPAC(1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine
SMILESCCC(Cc1ccccc1)(/C(=N/OCc1ccccc1)c1ccc(N2CCOCC2)cc1)N(C)C
InChIInChI=1S/C30H37N3O2/c1-4-30(32(2)3,23-25-11-7-5-8-12-25)29(31-35-24-26-13-9-6-10-14-26)27-15-17-28(18-16-27)33-19-21-34-22-20-33/h5-18H,4,19-24H2,1-3H3/b31-29+
InChIKeyPESLJYJYSCEIRU-OWWNRXNESA-N
MW471.65 g/mol
LogP5.40
Rot. Bonds10

About (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine

(1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine (PubChem CID 20734607) has the molecular formula C30H37N3O2 and a molecular weight of 471.65 g/mol. Its IUPAC name is (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine.

Molecular Properties

Compound Name(1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine
PubChem CID20734607
Molecular FormulaC30H37N3O2
Molecular Weight471.65 g/mol
Exact Mass471.29
IUPAC Name(1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine
SMILESCCC(Cc1ccccc1)(/C(=N/OCc1ccccc1)c1ccc(N2CCOCC2)cc1)N(C)C
InChIInChI=1S/C30H37N3O2/c1-4-30(32(2)3,23-25-11-7-5-8-12-25)29(31-35-24-26-13-9-6-10-14-26)27-15-17-28(18-16-27)33-19-21-34-22-20-33/h5-18H,4,19-24H2,1-3H3/b31-29+
InChIKeyPESLJYJYSCEIRU-OWWNRXNESA-N
XLogP5.40
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.65
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-prop-2-enoxyiminobutan-2-amine
CID 58763799
(1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-prop-2-enoxyiminobutan-2-amine
CID 89226446
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;2-hydroxy-2-methyl-1-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 161064034
2-benzyl-2-(dimethylamino)-3-(4-methylsulfanylphenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 152691568
2-benzyl-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)phenyl]butan-1-one
CID 155346752
3-[cyclopenta-2,4-dien-1-ylidene-(4-morpholin-4-ylphenyl)methyl]-N,N-dimethyl-1-phenylpentan-3-amine
CID 25166769
2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)butan-2-amine;1,3,5-triazine
CID 66962333
[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
2-benzyl-2-[dimethyl(trimethylsilyl)silyl]oxy-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 164713973
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone
CID 158412646
2-benzyl-2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-[9-butyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-methyl-2-morpholin-4-ylpropan-1-one;2-methyl-1-[9-methyl-6-(2-methyl-2-morpholin-4-ylpropanoyl)carbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 54422455
1-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-4-[3-[4-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-2-hydroxy-3,4-dioxobutoxy]-2,2-bis[[4-[4-[2-(dimethylamino)-2-(4-morpholin-4-ylbenzoyl)butyl]phenyl]-2-hydroxy-3,4-dioxobutoxy]methyl]propoxy]-3-hydroxybutane-1,2-dione
CID 129174730

Frequently Asked Questions

What is the IUPAC name of (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine?
The IUPAC name of (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine (CID 20734607) is (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine.
What is the SMILES notation for (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine?
The canonical SMILES for (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine is CCC(Cc1ccccc1)(/C(=N/OCc1ccccc1)c1ccc(N2CCOCC2)cc1)N(C)C.
What is the InChIKey of (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine?
The InChIKey is PESLJYJYSCEIRU-OWWNRXNESA-N. The full InChI is InChI=1S/C30H37N3O2/c1-4-30(32(2)3,23-25-11-7-5-8-12-25)29(31-35-24-26-13-9-6-10-14-26)27-15-17-28(18-16-27)33-19-21-34-22-20-33/h5-18H,4,19-24H2,1-3H3/b31-29+.
What are the key properties of (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine?
(1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine has a molecular weight of 471.65 g/mol, XLogP of 5.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-benzyl-N,N-dimethyl-1-(4-morpholin-4-ylphenyl)-1-phenylmethoxyiminobutan-2-amine is sourced from PubChem (CID 20734607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).