4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide

C29H36N2O4 — CID 4313088

IUPAC4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)cc1
InChIInChI=1S/C29H36N2O4/c1-22(2)16-18-31(29(33)25-11-14-26(34-4)15-12-25)21-28(32)30(20-27-13-10-23(3)35-27)19-17-24-8-6-5-7-9-24/h5-15,22H,16-21H2,1-4H3
InChIKeyOEAXKIOIQCWTOO-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.36
Rot. Bonds12

About 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide

4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 4313088) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
PubChem CID4313088
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC Name4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)N(CCC(C)C)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)cc1
InChIInChI=1S/C29H36N2O4/c1-22(2)16-18-31(29(33)25-11-14-26(34-4)15-12-25)21-28(32)30(20-27-13-10-23(3)35-27)19-17-24-8-6-5-7-9-24/h5-15,22H,16-21H2,1-4H3
InChIKeyOEAXKIOIQCWTOO-UHFFFAOYSA-N
XLogP5.36
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3939552
N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3367998
4-fluoro-N-(3-methoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4284944
ethyl (2R)-2-[3-methylbutyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 93117388
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 3670156
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 4143495
ethyl (2R)-2-[[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]propanoate
CID 7416856
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 5104676
N-butan-2-yl-4-fluoro-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3542330
4-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5024195
N-(2-methoxyethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3919322
N-benzyl-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4082449

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (CID 4313088) is 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is COc1ccc(C(=O)N(CCC(C)C)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)cc1.
What is the InChIKey of 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is OEAXKIOIQCWTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-22(2)16-18-31(29(33)25-11-14-26(34-4)15-12-25)21-28(32)30(20-27-13-10-23(3)35-27)19-17-24-8-6-5-7-9-24/h5-15,22H,16-21H2,1-4H3.
What are the key properties of 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 476.62 g/mol, XLogP of 5.36, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methylbutyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4313088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).