N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide

C22H29N3O3 — CID 54837051

IUPACN-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCCOc1cccc(NC(=O)CNc2ccc(NC(=O)CCC)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-3-5-14-28-20-9-6-8-19(15-20)25-22(27)16-23-17-10-12-18(13-11-17)24-21(26)7-4-2/h6,8-13,15,23H,3-5,7,14,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyARCNIBLGVIQBNV-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.65
Rot. Bonds11

About N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide

N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54837051) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54837051
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCCOc1cccc(NC(=O)CNc2ccc(NC(=O)CCC)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-3-5-14-28-20-9-6-8-19(15-20)25-22(27)16-23-17-10-12-18(13-11-17)24-21(26)7-4-2/h6,8-13,15,23H,3-5,7,14,16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyARCNIBLGVIQBNV-UHFFFAOYSA-N
XLogP4.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide with MolForge

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Related Compounds

2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide (CID 54837051) is N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide is CCCCOc1cccc(NC(=O)CNc2ccc(NC(=O)CCC)cc2)c1.
What is the InChIKey of N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is ARCNIBLGVIQBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-5-14-28-20-9-6-8-19(15-20)25-22(27)16-23-17-10-12-18(13-11-17)24-21(26)7-4-2/h6,8-13,15,23H,3-5,7,14,16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide?
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 383.49 g/mol, XLogP of 4.65, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54837051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).