N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide

C27H32N4O4 — CID 42773151

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)Nc1ccccc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C27H32N4O4/c32-26(31(21-25-12-7-17-35-25)20-23-8-3-1-4-9-23)22-30(14-13-29-15-18-34-19-16-29)27(33)28-24-10-5-2-6-11-24/h1-12,17H,13-16,18-22H2,(H,28,33)
InChIKeyXYIASRIMJJWPBM-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.67
Rot. Bonds10

About N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide

N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide (PubChem CID 42773151) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
PubChem CID42773151
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
SMILESO=C(CN(CCN1CCOCC1)C(=O)Nc1ccccc1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C27H32N4O4/c32-26(31(21-25-12-7-17-35-25)20-23-8-3-1-4-9-23)22-30(14-13-29-15-18-34-19-16-29)27(33)28-24-10-5-2-6-11-24/h1-12,17H,13-16,18-22H2,(H,28,33)
InChIKeyXYIASRIMJJWPBM-UHFFFAOYSA-N
XLogP3.67
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]acetamide
CID 3433522
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4255945
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3373428
2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4106421
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4983558
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3256305
N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 3616006
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-2-phenylcyclopropane-1-carboxamide
CID 4145732
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3894697
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 42772936
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,4-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 5048178

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide (CID 42773151) is N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide is O=C(CN(CCN1CCOCC1)C(=O)Nc1ccccc1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?
The InChIKey is XYIASRIMJJWPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c32-26(31(21-25-12-7-17-35-25)20-23-8-3-1-4-9-23)22-30(14-13-29-15-18-34-19-16-29)27(33)28-24-10-5-2-6-11-24/h1-12,17H,13-16,18-22H2,(H,28,33).
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide?
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide has a molecular weight of 476.58 g/mol, XLogP of 3.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide is sourced from PubChem (CID 42773151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).