N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide

C30H37N3O5 — CID 4998735

IUPACN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CCCN2CCOCC2)C(=O)COc2ccccc2)o1
InChIInChI=1S/C30H37N3O5/c1-25-13-14-28(38-25)22-33(21-26-9-4-2-5-10-26)29(34)23-32(16-8-15-31-17-19-36-20-18-31)30(35)24-37-27-11-6-3-7-12-27/h2-7,9-14H,8,15-24H2,1H3
InChIKeyBOFGODFJTVSEJD-UHFFFAOYSA-N
MW519.64 g/mol
LogP3.75
Rot. Bonds13

About N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide

N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide (PubChem CID 4998735) has the molecular formula C30H37N3O5 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
PubChem CID4998735
Molecular FormulaC30H37N3O5
Molecular Weight519.64 g/mol
Exact Mass519.27
IUPAC NameN-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
SMILESCc1ccc(CN(Cc2ccccc2)C(=O)CN(CCCN2CCOCC2)C(=O)COc2ccccc2)o1
InChIInChI=1S/C30H37N3O5/c1-25-13-14-28(38-25)22-33(21-26-9-4-2-5-10-26)29(34)23-32(16-8-15-31-17-19-36-20-18-31)30(35)24-37-27-11-6-3-7-12-27/h2-7,9-14H,8,15-24H2,1H3
InChIKeyBOFGODFJTVSEJD-UHFFFAOYSA-N
XLogP3.75
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.64
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3539286
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)pentanamide
CID 5060616
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3683511
N-benzyl-2-[cyclohexylcarbamoyl(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3455332
N-benzyl-2-[(4-chlorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5121551
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 4143495
2-[benzenesulfonyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773228
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3638124
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3,5-bis(trifluoromethyl)benzamide
CID 5016753
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide (CID 4998735) is N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide is Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCCN2CCOCC2)C(=O)COc2ccccc2)o1.
What is the InChIKey of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
The InChIKey is BOFGODFJTVSEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5/c1-25-13-14-28(38-25)22-33(21-26-9-4-2-5-10-26)29(34)23-32(16-8-15-31-17-19-36-20-18-31)30(35)24-37-27-11-6-3-7-12-27/h2-7,9-14H,8,15-24H2,1H3.
What are the key properties of N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide?
N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide has a molecular weight of 519.64 g/mol, XLogP of 3.75, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(5-methylfuran-2-yl)methyl]-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 4998735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).