3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

C26H34N4O3 — CID 54845719

IUPAC3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C26H34N4O3/c1-29(2)25(32)15-10-20-8-7-9-23(18-20)27-19-24(31)28-22-13-11-21(12-14-22)26(33)30-16-5-3-4-6-17-30/h7-9,11-14,18,27H,3-6,10,15-17,19H2,1-2H3,(H,28,31)
InChIKeyVAMQPZZVMUHCRN-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.77
Rot. Bonds8

About 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide

3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (PubChem CID 54845719) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
PubChem CID54845719
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C26H34N4O3/c1-29(2)25(32)15-10-20-8-7-9-23(18-20)27-19-24(31)28-22-13-11-21(12-14-22)26(33)30-16-5-3-4-6-17-30/h7-9,11-14,18,27H,3-6,10,15-17,19H2,1-2H3,(H,28,31)
InChIKeyVAMQPZZVMUHCRN-UHFFFAOYSA-N
XLogP3.77
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide 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

N,N-dimethyl-3-[3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54845881
N,N-dimethyl-3-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841512
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837346
N-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
propyl 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzoate
CID 54845872
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-methyl-N-phenyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843314

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide (CID 54845719) is 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is CN(C)C(=O)CCc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1.
What is the InChIKey of 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
The InChIKey is VAMQPZZVMUHCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-29(2)25(32)15-10-20-8-7-9-23(18-20)27-19-24(31)28-22-13-11-21(12-14-22)26(33)30-16-5-3-4-6-17-30/h7-9,11-14,18,27H,3-6,10,15-17,19H2,1-2H3,(H,28,31).
What are the key properties of 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide?
3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide has a molecular weight of 450.58 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 54845719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).