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

C22H29N3O3 — CID 54820523

IUPACN-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CCC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-5-15-28-20-13-11-17(12-14-20)23-16-22(27)25-19-9-7-18(8-10-19)24-21(26)6-4-2/h7-14,23H,3-6,15-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVRYIDDDSRBKRJX-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.65
Rot. Bonds11

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

N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide (PubChem CID 54820523) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
PubChem CID54820523
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
SMILESCCCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CCC)cc2)cc1
InChIInChI=1S/C22H29N3O3/c1-3-5-15-28-20-13-11-17(12-14-20)23-16-22(27)25-19-9-7-18(8-10-19)24-21(26)6-4-2/h7-14,23H,3-6,15-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyVRYIDDDSRBKRJX-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-(4-butoxyphenyl)butanamide
CID 4939679
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-[4-[[2-[4-(2-ethoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54837207
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-(4-decoxyphenyl)butanamide
CID 143303175
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide (CID 54820523) is N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide is CCCCOc1ccc(NCC(=O)Nc2ccc(NC(=O)CCC)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide?
The InChIKey is VRYIDDDSRBKRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-5-15-28-20-13-11-17(12-14-20)23-16-22(27)25-19-9-7-18(8-10-19)24-21(26)6-4-2/h7-14,23H,3-6,15-16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide?
N-[4-[[2-(4-butoxyanilino)acetyl]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-(4-butoxyanilino)acetyl]amino]phenyl]butanamide is sourced from PubChem (CID 54820523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).