N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide

C22H30N2O3 — CID 4291924

IUPACN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C22H30N2O3/c1-5-21(25)24(17(2)3)16-22(26)23(15-20-12-11-18(4)27-20)14-13-19-9-7-6-8-10-19/h6-12,17H,5,13-16H2,1-4H3
InChIKeyXBQDAXRSDTZIOA-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.81
Rot. Bonds9

About N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide

N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide (PubChem CID 4291924) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
PubChem CID4291924
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(C)C
InChIInChI=1S/C22H30N2O3/c1-5-21(25)24(17(2)3)16-22(26)23(15-20-12-11-18(4)27-20)14-13-19-9-7-6-8-10-19/h6-12,17H,5,13-16H2,1-4H3
InChIKeyXBQDAXRSDTZIOA-UHFFFAOYSA-N
XLogP3.81
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 7412289
ethyl (2R)-2-[[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]propanoate
CID 7416856
ethyl (2R)-2-[3-methylbutyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 93117388
N-butan-2-yl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3542330
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
2-[[(2R)-butan-2-yl]-[(2,6-difluorophenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 93117330
[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-propan-2-ylazanium
CID 7237808
methyl (2S)-2-[2-methoxyethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 7360740
ethyl (2R)-2-[[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-prop-2-enylamino]propanoate
CID 7287765
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133
4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3939552

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The IUPAC name of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide (CID 4291924) is N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide is CCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(C)C.
What is the InChIKey of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
The InChIKey is XBQDAXRSDTZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-21(25)24(17(2)3)16-22(26)23(15-20-12-11-18(4)27-20)14-13-19-9-7-6-8-10-19/h6-12,17H,5,13-16H2,1-4H3.
What are the key properties of N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide?
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide has a molecular weight of 370.49 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 4291924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).