bis[4-[decyl(ethyl)amino]phenyl]methanone

C37H60N2O — CID 150764383

IUPACbis[4-[decyl(ethyl)amino]phenyl]methanone
SMILESCCCCCCCCCCN(CC)c1ccc(C(=O)c2ccc(N(CC)CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C37H60N2O/c1-5-9-11-13-15-17-19-21-31-38(7-3)35-27-23-33(24-28-35)37(40)34-25-29-36(30-26-34)39(8-4)32-22-20-18-16-14-12-10-6-2/h23-30H,5-22,31-32H2,1-4H3
InChIKeyJYMVVOFPBNNBJN-UHFFFAOYSA-N
MW548.90 g/mol
LogP10.85
Rot. Bonds24

About bis[4-[decyl(ethyl)amino]phenyl]methanone

bis[4-[decyl(ethyl)amino]phenyl]methanone (PubChem CID 150764383) has the molecular formula C37H60N2O and a molecular weight of 548.90 g/mol. Its IUPAC name is bis[4-[decyl(ethyl)amino]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[decyl(ethyl)amino]phenyl]methanone
PubChem CID150764383
Molecular FormulaC37H60N2O
Molecular Weight548.90 g/mol
Exact Mass548.47
IUPAC Namebis[4-[decyl(ethyl)amino]phenyl]methanone
SMILESCCCCCCCCCCN(CC)c1ccc(C(=O)c2ccc(N(CC)CCCCCCCCCC)cc2)cc1
InChIInChI=1S/C37H60N2O/c1-5-9-11-13-15-17-19-21-31-38(7-3)35-27-23-33(24-28-35)37(40)34-25-29-36(30-26-34)39(8-4)32-22-20-18-16-14-12-10-6-2/h23-30H,5-22,31-32H2,1-4H3
InChIKeyJYMVVOFPBNNBJN-UHFFFAOYSA-N
XLogP10.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.90
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bis[4-[decyl(ethyl)amino]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
4-[2-carboxyethyl(hexyl)amino]benzoic acid
CID 82318275
4-(aminomethyl)-N-ethyl-N-octylaniline
CID 43275853
N-butyl-4-(diethylamino)-N-methylbenzamide
CID 78796145
4-[nonyl(pentyl)amino]phenol
CID 174874757
2-[[4-[dodecyl(ethyl)amino]phenyl]methylidene]-3-oxobutanenitrile
CID 78055991
N,N-diheptyl-4-methylaniline
CID 20558578
[4-[3-[4-[4-[di(pentadecyl)amino]benzoyl]oxyphenyl]-3-oxopropanoyl]phenyl] 4-[di(pentadecyl)amino]benzoate
CID 139908386
N-[(2S)-1-aminopropan-2-yl]-4-[butyl(ethyl)amino]benzamide
CID 120505281
bis[4-(diethylamino)phenyl]methanone;bis[4-(dimethylamino)phenyl]methanone;diphenylmethanone
CID 161451495
4-[[4-[bis[4-(dibutylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
CID 22095440
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528

Frequently Asked Questions

What is the IUPAC name of bis[4-[decyl(ethyl)amino]phenyl]methanone?
The IUPAC name of bis[4-[decyl(ethyl)amino]phenyl]methanone (CID 150764383) is bis[4-[decyl(ethyl)amino]phenyl]methanone.
What is the SMILES notation for bis[4-[decyl(ethyl)amino]phenyl]methanone?
The canonical SMILES for bis[4-[decyl(ethyl)amino]phenyl]methanone is CCCCCCCCCCN(CC)c1ccc(C(=O)c2ccc(N(CC)CCCCCCCCCC)cc2)cc1.
What is the InChIKey of bis[4-[decyl(ethyl)amino]phenyl]methanone?
The InChIKey is JYMVVOFPBNNBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H60N2O/c1-5-9-11-13-15-17-19-21-31-38(7-3)35-27-23-33(24-28-35)37(40)34-25-29-36(30-26-34)39(8-4)32-22-20-18-16-14-12-10-6-2/h23-30H,5-22,31-32H2,1-4H3.
What are the key properties of bis[4-[decyl(ethyl)amino]phenyl]methanone?
bis[4-[decyl(ethyl)amino]phenyl]methanone has a molecular weight of 548.90 g/mol, XLogP of 10.85, 24 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[decyl(ethyl)amino]phenyl]methanone is sourced from PubChem (CID 150764383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).