2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide

C24H26N4O5 — CID 51556441

IUPAC2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide
SMILESC[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H26N4O5/c1-18(19-8-6-11-21(14-19)28(31)32)26(2)17-24(30)27(15-22-12-7-13-33-22)16-23(29)25-20-9-4-3-5-10-20/h3-14,18H,15-17H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyHXFNQDYKTFQQHQ-GOSISDBHSA-N
MW450.50 g/mol
LogP3.85
Rot. Bonds10

About 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide

2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide (PubChem CID 51556441) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide
PubChem CID51556441
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide
SMILESC[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H26N4O5/c1-18(19-8-6-11-21(14-19)28(31)32)26(2)17-24(30)27(15-22-12-7-13-33-22)16-23(29)25-20-9-4-3-5-10-20/h3-14,18H,15-17H2,1-2H3,(H,25,29)/t18-/m1/s1
InChIKeyHXFNQDYKTFQQHQ-GOSISDBHSA-N
XLogP3.85
TPSA108.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47011175
N-(furan-2-ylmethyl)-N-[2-(3-methylanilino)-2-oxoethyl]-3-nitrobenzamide
CID 1124594
2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 24568213
2-[methyl-[1-(3-nitrophenyl)ethyl]amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42937133
N-(furan-2-ylmethyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]propanamide
CID 47011162
N-(3-chloro-4-fluorophenyl)-2-[methyl-[1-(3-nitrophenyl)ethyl]amino]acetamide
CID 46563808
2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
3-(furan-2-ylmethyl)-1-methyl-1-[(1S)-1-(3-nitrophenyl)ethyl]thiourea
CID 8560936
3-[methyl-[(1S)-1-(3-nitrophenyl)ethyl]amino]propanoic acid
CID 124545248
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
2-[furan-2-ylmethyl(methyl)amino]-N-(4-nitrophenyl)propanamide
CID 51171787

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide (CID 51556441) is 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide is C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1.
What is the InChIKey of 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide?
The InChIKey is HXFNQDYKTFQQHQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-18(19-8-6-11-21(14-19)28(31)32)26(2)17-24(30)27(15-22-12-7-13-33-22)16-23(29)25-20-9-4-3-5-10-20/h3-14,18H,15-17H2,1-2H3,(H,25,29)/t18-/m1/s1.
What are the key properties of 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide?
2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide has a molecular weight of 450.50 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide is sourced from PubChem (CID 51556441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).