N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide

C21H27N3O3 — CID 54828042

IUPACN-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C21H27N3O3/c1-3-5-13-27-19-12-7-6-11-18(19)22-15-21(26)24-17-10-8-9-16(14-17)23-20(25)4-2/h6-12,14,22H,3-5,13,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySPMMITWCRHKEPR-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.26
Rot. Bonds10

About N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide

N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54828042) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
PubChem CID54828042
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1cccc(NC(=O)CC)c1
InChIInChI=1S/C21H27N3O3/c1-3-5-13-27-19-12-7-6-11-18(19)22-15-21(26)24-17-10-8-9-16(14-17)23-20(25)4-2/h6-12,14,22H,3-5,13,15H2,1-2H3,(H,23,25)(H,24,26)
InChIKeySPMMITWCRHKEPR-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'}

Analyze N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide 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-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105
N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
CID 54827782
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
N-(2-butoxyphenyl)propanamide
CID 15943029
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide (CID 54828042) is N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide is CCCCOc1ccccc1NCC(=O)Nc1cccc(NC(=O)CC)c1.
What is the InChIKey of N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is SPMMITWCRHKEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-5-13-27-19-12-7-6-11-18(19)22-15-21(26)24-17-10-8-9-16(14-17)23-20(25)4-2/h6-12,14,22H,3-5,13,15H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide?
N-[3-[[2-(2-butoxyanilino)acetyl]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-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54828042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).