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

C30H34N4O3 — CID 54837346

IUPACN-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C30H34N4O3/c35-28(18-13-23-9-4-3-5-10-23)33-27-12-8-11-26(21-27)31-22-29(36)32-25-16-14-24(15-17-25)30(37)34-19-6-1-2-7-20-34/h3-5,8-12,14-17,21,31H,1-2,6-7,13,18-20,22H2,(H,32,36)(H,33,35)
InChIKeyXZARXRZBZNRENO-UHFFFAOYSA-N
MW498.63 g/mol
LogP5.32
Rot. Bonds9

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

N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (PubChem CID 54837346) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
PubChem CID54837346
Molecular FormulaC30H34N4O3
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC NameN-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1
InChIInChI=1S/C30H34N4O3/c35-28(18-13-23-9-4-3-5-10-23)33-27-12-8-11-26(21-27)31-22-29(36)32-25-16-14-24(15-17-25)30(37)34-19-6-1-2-7-20-34/h3-5,8-12,14-17,21,31H,1-2,6-7,13,18-20,22H2,(H,32,36)(H,33,35)
InChIKeyXZARXRZBZNRENO-UHFFFAOYSA-N
XLogP5.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide 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-[4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839493
3-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845719
N,N-dimethyl-3-[3-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54845881
N-[4-[[2-[3-(morpholine-4-carbonyl)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54836716
N-[3-(2-phenylethoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841655
2-anilino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119702402
N-[4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839339
N-[3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54834226
N,N-dimethyl-3-[3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]propanamide
CID 54841512
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
4-[3-oxo-3-[4-(pyrrolidine-1-carbonyl)anilino]propyl]benzoic acid
CID 119180120
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The IUPAC name of N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide (CID 54837346) is N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cccc(NCC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1.
What is the InChIKey of N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
The InChIKey is XZARXRZBZNRENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c35-28(18-13-23-9-4-3-5-10-23)33-27-12-8-11-26(21-27)31-22-29(36)32-25-16-14-24(15-17-25)30(37)34-19-6-1-2-7-20-34/h3-5,8-12,14-17,21,31H,1-2,6-7,13,18-20,22H2,(H,32,36)(H,33,35).
What are the key properties of N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide?
N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide has a molecular weight of 498.63 g/mol, XLogP of 5.32, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[4-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 54837346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).