2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

C31H42N2O2 — CID 46128888

IUPAC2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C31H42N2O2/c1-6-7-20-32(22-27-14-16-28(17-15-27)31(3,4)5)24-30(34)33(23-29-18-13-25(2)35-29)21-19-26-11-9-8-10-12-26/h8-18H,6-7,19-24H2,1-5H3
InChIKeyTXULOXFVVWOZDV-UHFFFAOYSA-N
MW474.69 g/mol
LogP6.76
Rot. Bonds12

About 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide

2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (PubChem CID 46128888) has the molecular formula C31H42N2O2 and a molecular weight of 474.69 g/mol. Its IUPAC name is 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
PubChem CID46128888
Molecular FormulaC31H42N2O2
Molecular Weight474.69 g/mol
Exact Mass474.32
IUPAC Name2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
SMILESCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C31H42N2O2/c1-6-7-20-32(22-27-14-16-28(17-15-27)31(3,4)5)24-30(34)33(23-29-18-13-25(2)35-29)21-19-26-11-9-8-10-12-26/h8-18H,6-7,19-24H2,1-5H3
InChIKeyTXULOXFVVWOZDV-UHFFFAOYSA-N
XLogP6.76
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide with MolForge

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Related Compounds

2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133
N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3367998
2-[(4-cyanophenyl)methyl-(furan-2-ylmethyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128921
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924
N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)-2-(propylamino)acetamide
CID 7347797
2-[(4-bromophenyl)methyl-[(2S)-butan-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117345
2-[(4-bromophenyl)methyl-[(2R)-butan-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117344
N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide
CID 3531802
2-[(2-chloro-6-fluorophenyl)methyl-propylamino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 42797644
ethyl (2R)-2-[3-methylbutyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 93117388
ethyl (2R)-2-[[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]propanoate
CID 7416856
N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 7412289

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide (CID 46128888) is 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is CCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
The InChIKey is TXULOXFVVWOZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O2/c1-6-7-20-32(22-27-14-16-28(17-15-27)31(3,4)5)24-30(34)33(23-29-18-13-25(2)35-29)21-19-26-11-9-8-10-12-26/h8-18H,6-7,19-24H2,1-5H3.
What are the key properties of 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide?
2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide has a molecular weight of 474.69 g/mol, XLogP of 6.76, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 46128888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).