N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

C27H30N2O3 — CID 3515391

IUPACN-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESCCCCOc1ccccc1C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-2-3-18-32-24-17-11-10-16-23(24)27(28-25(30)19-21-12-6-4-7-13-21)29-26(31)20-22-14-8-5-9-15-22/h4-17,27H,2-3,18-20H2,1H3,(H,28,30)(H,29,31)
InChIKeyFIPVOKDFOUHDOC-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.58
Rot. Bonds11

About N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide

N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (PubChem CID 3515391) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
PubChem CID3515391
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide
SMILESCCCCOc1ccccc1C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1
InChIInChI=1S/C27H30N2O3/c1-2-3-18-32-24-17-11-10-16-23(24)27(28-25(30)19-21-12-6-4-7-13-21)29-26(31)20-22-14-8-5-9-15-22/h4-17,27H,2-3,18-20H2,1H3,(H,28,30)(H,29,31)
InChIKeyFIPVOKDFOUHDOC-UHFFFAOYSA-N
XLogP4.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)-[[2-(4-methoxyphenyl)acetyl]amino]methyl]acetamide
CID 18839457
2-phenyl-N-[1-[(2-phenylacetyl)amino]pentyl]acetamide
CID 71451972
2-pentoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4946811
1-(2-butoxyphenyl)-2,2,2-trichloroethanol
CID 119091928
1-(2,3-dibutoxyphenyl)-2-phenylethanone
CID 70572932
N-(2-butoxyphenyl)propanamide
CID 15943029
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-butoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide
CID 4941755
N-[1-(2-butoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 54804468
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The IUPAC name of N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide (CID 3515391) is N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The canonical SMILES for N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is CCCCOc1ccccc1C(NC(=O)Cc1ccccc1)NC(=O)Cc1ccccc1.
What is the InChIKey of N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
The InChIKey is FIPVOKDFOUHDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-2-3-18-32-24-17-11-10-16-23(24)27(28-25(30)19-21-12-6-4-7-13-21)29-26(31)20-22-14-8-5-9-15-22/h4-17,27H,2-3,18-20H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide?
N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide has a molecular weight of 430.55 g/mol, XLogP of 4.58, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxyphenyl)-[(2-phenylacetyl)amino]methyl]-2-phenylacetamide is sourced from PubChem (CID 3515391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).