N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide

C24H30N4O3 — CID 54832046

IUPACN-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C24H30N4O3/c1-2-3-13-25-23(30)18-9-11-20(12-10-18)26-17-22(29)27-21-8-6-7-19(16-21)24(31)28-14-4-5-15-28/h6-12,16,26H,2-5,13-15,17H2,1H3,(H,25,30)(H,27,29)
InChIKeyNFSZNYMJEZUKFQ-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.50
Rot. Bonds9

About N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide

N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (PubChem CID 54832046) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
PubChem CID54832046
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
SMILESCCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C24H30N4O3/c1-2-3-13-25-23(30)18-9-11-20(12-10-18)26-17-22(29)27-21-8-6-7-19(16-21)24(31)28-14-4-5-15-28/h6-12,16,26H,2-5,13-15,17H2,1H3,(H,25,30)(H,27,29)
InChIKeyNFSZNYMJEZUKFQ-UHFFFAOYSA-N
XLogP3.50
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839148
N-butyl-4-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841477
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-(2-methoxyethyl)-3-[[2-[4-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54834227
N-butyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833542
3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54831948
N,N-dimethyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54840746
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048
2-(4-acetamidoanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54809150
N-(2-methoxyethyl)-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841294
N-ethyl-3-[[2-oxo-2-[4-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54837778
N-butyl-3-[[2-[4-(cyclohexylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54843817

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The IUPAC name of N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide (CID 54832046) is N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is CCCCNC(=O)c1ccc(NCC(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
The InChIKey is NFSZNYMJEZUKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-2-3-13-25-23(30)18-9-11-20(12-10-18)26-17-22(29)27-21-8-6-7-19(16-21)24(31)28-14-4-5-15-28/h6-12,16,26H,2-5,13-15,17H2,1H3,(H,25,30)(H,27,29).
What are the key properties of N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide?
N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54832046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).