[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone

C29H34N2O3 — CID 53231345

IUPAC[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H34N2O3/c1-30(22-24-6-3-2-4-7-24)23-25-8-10-26(11-9-25)29(32)27-12-14-28(15-13-27)34-19-5-16-31-17-20-33-21-18-31/h2-4,6-15H,5,16-23H2,1H3
InChIKeyMWWZUDCUVPZYEH-UHFFFAOYSA-N
MW458.60 g/mol
LogP4.65
Rot. Bonds11

About [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone

[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone (PubChem CID 53231345) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
PubChem CID53231345
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C29H34N2O3/c1-30(22-24-6-3-2-4-7-24)23-25-8-10-26(11-9-25)29(32)27-12-14-28(15-13-27)34-19-5-16-31-17-20-33-21-18-31/h2-4,6-15H,5,16-23H2,1H3
InChIKeyMWWZUDCUVPZYEH-UHFFFAOYSA-N
XLogP4.65
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone with MolForge

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Related Compounds

[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-piperidin-1-ylpropoxy)phenyl]methanone;hydrochloride
CID 53231551
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-chloropropoxy)phenyl]methanone
CID 53231147
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
1-[4-[3-(4-benzoylphenoxy)propyl]piperazin-1-yl]ethanone
CID 59372963
4-[3-[benzyl(methyl)amino]propoxy]benzoic acid
CID 20991269
4-[4-[7-[13-[7-[4-(4-carboxyphenoxy)carbonylphenoxy]heptyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]heptoxy]benzoyl]oxybenzoic acid
CID 102428299
4-[3-(4-bromophenoxy)propyl]morpholine;oxalic acid
CID 2843796
(E)-3-[4-(3-morpholin-4-ylpropoxy)phenyl]-1-phenylprop-2-en-1-one
CID 101157228
4-[2-[4-[(E)-1,3-diphenylpent-2-en-2-yl]phenoxy]ethyl]morpholine
CID 15497004
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
N-(3-morpholin-4-ylpropyl)-4-phenylmethoxybenzamide
CID 17459626

Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone?
The IUPAC name of [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone (CID 53231345) is [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone.
What is the SMILES notation for [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone?
The canonical SMILES for [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone is CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(OCCCN3CCOCC3)cc2)cc1.
What is the InChIKey of [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone?
The InChIKey is MWWZUDCUVPZYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-30(22-24-6-3-2-4-7-24)23-25-8-10-26(11-9-25)29(32)27-12-14-28(15-13-27)34-19-5-16-31-17-20-33-21-18-31/h2-4,6-15H,5,16-23H2,1H3.
What are the key properties of [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone?
[4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone has a molecular weight of 458.60 g/mol, XLogP of 4.65, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl(methyl)amino]methyl]phenyl]-[4-(3-morpholin-4-ylpropoxy)phenyl]methanone is sourced from PubChem (CID 53231345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).