N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide

C27H33N3O4 — CID 4689277

IUPACN-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C
InChIInChI=1S/C27H33N3O4/c1-21(2)18-30(27(32)28-24-13-7-8-14-25(24)33-3)20-26(31)29(19-23-12-9-17-34-23)16-15-22-10-5-4-6-11-22/h4-14,17,21H,15-16,18-20H2,1-3H3,(H,28,32)
InChIKeyHIQQGVPXQOUFFN-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.05
Rot. Bonds11

About N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide

N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 4689277) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID4689277
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
SMILESCOc1ccccc1NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C
InChIInChI=1S/C27H33N3O4/c1-21(2)18-30(27(32)28-24-13-7-8-14-25(24)33-3)20-26(31)29(19-23-12-9-17-34-23)16-15-22-10-5-4-6-11-22/h4-14,17,21H,15-16,18-20H2,1-3H3,(H,28,32)
InChIKeyHIQQGVPXQOUFFN-UHFFFAOYSA-N
XLogP5.05
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3602263
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
CID 5188830
2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3983423
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
2-[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4597509
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
2-[(2-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3305402
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 3984362
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 3644955
2-[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5110905
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide (CID 4689277) is N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide is COc1ccccc1NC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is HIQQGVPXQOUFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-21(2)18-30(27(32)28-24-13-7-8-14-25(24)33-3)20-26(31)29(19-23-12-9-17-34-23)16-15-22-10-5-4-6-11-22/h4-14,17,21H,15-16,18-20H2,1-3H3,(H,28,32).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide?
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 463.58 g/mol, XLogP of 5.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4689277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).