2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide

C24H34N2O3 — CID 42780133

IUPAC2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C(C)(C)C
InChIInChI=1S/C24H34N2O3/c1-6-15-26(23(28)24(3,4)5)18-22(27)25(17-21-13-12-19(2)29-21)16-14-20-10-8-7-9-11-20/h7-13H,6,14-18H2,1-5H3
InChIKeyBNPYTCDBKROHPP-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.44
Rot. Bonds9

About 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide

2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide (PubChem CID 42780133) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
PubChem CID42780133
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC Name2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C(C)(C)C
InChIInChI=1S/C24H34N2O3/c1-6-15-26(23(28)24(3,4)5)18-22(27)25(17-21-13-12-19(2)29-21)16-14-20-10-8-7-9-11-20/h7-13H,6,14-18H2,1-5H3
InChIKeyBNPYTCDBKROHPP-UHFFFAOYSA-N
XLogP4.44
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide with MolForge

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Related Compounds

2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128888
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylpropanamide
CID 4252253
N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3367998
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
N-(furan-2-ylmethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3953294
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
2-[(4-bromophenyl)methyl-[(2R)-butan-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117344
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5228415
2-[(4-bromophenyl)methyl-[(2S)-butan-2-yl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117345
N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide
CID 3531802

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide (CID 42780133) is 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide?
The InChIKey is BNPYTCDBKROHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-6-15-26(23(28)24(3,4)5)18-22(27)25(17-21-13-12-19(2)29-21)16-14-20-10-8-7-9-11-20/h7-13H,6,14-18H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide?
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide has a molecular weight of 398.55 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 42780133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).