N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide

C27H38N2O4 — CID 132718126

IUPACN-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C27H38N2O4/c1-5-21(3)28-27(31)25(6-2)29(19-18-22-11-8-7-9-12-22)26(30)13-10-20-33-24-16-14-23(32-4)15-17-24/h7-9,11-12,14-17,21,25H,5-6,10,13,18-20H2,1-4H3,(H,28,31)
InChIKeyKSZZDEQDJYFCNQ-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.62
Rot. Bonds14

About N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide

N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide (PubChem CID 132718126) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
PubChem CID132718126
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
SMILESCCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C27H38N2O4/c1-5-21(3)28-27(31)25(6-2)29(19-18-22-11-8-7-9-12-22)26(30)13-10-20-33-24-16-14-23(32-4)15-17-24/h7-9,11-12,14-17,21,25H,5-6,10,13,18-20H2,1-4H3,(H,28,31)
InChIKeyKSZZDEQDJYFCNQ-UHFFFAOYSA-N
XLogP4.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide 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-butan-2-yl-2-[4-(4-chlorophenoxy)butanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132723660
4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 132667972
N-butan-2-yl-2-[[2-(4-fluorophenoxy)acetyl]-(2-phenylethyl)amino]butanamide
CID 132707913
2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-butan-2-ylbutanamide
CID 132723789
N-butan-2-yl-2-[(3-methoxyphenyl)methyl-[4-(4-methylphenoxy)butanoyl]amino]butanamide
CID 132718133
2-[benzyl-[2-(4-methoxyphenoxy)acetyl]amino]-N-butan-2-ylbutanamide
CID 132707479
(2R)-N-[(2S)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[4-(4-methoxyphenoxy)butanoyl]amino]butanamide
CID 100731852
N-benzyl-N-[1-(butan-2-ylamino)-1-oxo-3-phenylpropan-2-yl]-4-phenoxybutanamide
CID 133226961
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 100618177
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-(2-phenylethyl)amino]butanamide
CID 125079123
(2R)-N-cyclohexyl-2-[4-(4-methylphenoxy)butanoyl-(2-phenylethyl)amino]butanamide
CID 100606400
(2S)-N-[(2S)-butan-2-yl]-2-[(2-methylphenyl)methyl-(4-phenoxybutanoyl)amino]butanamide
CID 100661406

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide?
The IUPAC name of N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide (CID 132718126) is N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide?
The canonical SMILES for N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide is CCC(C)NC(=O)C(CC)N(CCc1ccccc1)C(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide?
The InChIKey is KSZZDEQDJYFCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-5-21(3)28-27(31)25(6-2)29(19-18-22-11-8-7-9-12-22)26(30)13-10-20-33-24-16-14-23(32-4)15-17-24/h7-9,11-12,14-17,21,25H,5-6,10,13,18-20H2,1-4H3,(H,28,31).
What are the key properties of N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide?
N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide has a molecular weight of 454.61 g/mol, XLogP of 4.62, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(4-methoxyphenoxy)butanoyl-(2-phenylethyl)amino]butanamide is sourced from PubChem (CID 132718126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).