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

C21H27N3O3 — CID 54835555

IUPACN-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-5-14-27-19-12-10-18(11-13-19)24-21(26)15-22-16-6-8-17(9-7-16)23-20(25)4-2/h6-13,22H,3-5,14-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRNVDXMJKPOBPBB-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds10

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

N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 54835555) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
PubChem CID54835555
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccc(NC(=O)CC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-3-5-14-27-19-12-10-18(11-13-19)24-21(26)15-22-16-6-8-17(9-7-16)23-20(25)4-2/h6-13,22H,3-5,14-15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyRNVDXMJKPOBPBB-UHFFFAOYSA-N
XLogP4.26
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.26
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-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
methyl 4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]benzoate
CID 54816861
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
2-(4-butan-2-yloxyanilino)-N-(4-butoxyphenyl)acetamide
CID 54830327

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide (CID 54835555) is N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide is CCCCOc1ccc(NC(=O)CNc2ccc(NC(=O)CC)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is RNVDXMJKPOBPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-5-14-27-19-12-10-18(11-13-19)24-21(26)15-22-16-6-8-17(9-7-16)23-20(25)4-2/h6-13,22H,3-5,14-15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide?
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 369.47 g/mol, XLogP of 4.26, 10 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)-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 54835555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).