N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide

C25H31N3O5 — CID 25412581

IUPACN-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide
SMILESO=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C25H31N3O5/c29-23(26-16-20-12-6-14-32-20)22(18-8-2-1-3-9-18)28(17-21-13-7-15-33-21)25(31)24(30)27-19-10-4-5-11-19/h1-3,7-9,13,15,19-20,22H,4-6,10-12,14,16-17H2,(H,26,29)(H,27,30)/t20-,22-/m1/s1
InChIKeyPZZPLVXZBLGQCZ-IFMALSPDSA-N
MW453.54 g/mol
LogP2.70
Rot. Bonds8

About N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide

N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide (PubChem CID 25412581) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide
PubChem CID25412581
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide
SMILESO=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1
InChIInChI=1S/C25H31N3O5/c29-23(26-16-20-12-6-14-32-20)22(18-8-2-1-3-9-18)28(17-21-13-7-15-33-21)25(31)24(30)27-19-10-4-5-11-19/h1-3,7-9,13,15,19-20,22H,4-6,10-12,14,16-17H2,(H,26,29)(H,27,30)/t20-,22-/m1/s1
InChIKeyPZZPLVXZBLGQCZ-IFMALSPDSA-N
XLogP2.70
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-N'-[(1S)-1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 25412922
N-cyclohexyl-N'-[1-(furan-2-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220018
N-cyclohexyl-N'-[2-(furan-2-ylmethylamino)-2-oxo-1-thiophen-2-ylethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220019
N-cyclohexyl-N'-[1-(2-fluorophenyl)-2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N'-(oxolan-2-ylmethyl)oxamide
CID 3220020
N-[2-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3211768
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 654223
N-cyclohexyl-N'-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-N'-propan-2-yloxamide
CID 25412994
N-benzyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]butanamide
CID 133237090
N-[2-[(4-methoxyphenyl)methyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315637
2-[[2-(4-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 133237757
N-[2-[1,3-benzodioxol-5-ylmethyl-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315585
N-[2-[1,3-benzodioxol-5-ylmethyl-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 25315590

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide?
The IUPAC name of N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide (CID 25412581) is N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide?
The canonical SMILES for N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide is O=C(NC1CCCC1)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1.
What is the InChIKey of N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide?
The InChIKey is PZZPLVXZBLGQCZ-IFMALSPDSA-N. The full InChI is InChI=1S/C25H31N3O5/c29-23(26-16-20-12-6-14-32-20)22(18-8-2-1-3-9-18)28(17-21-13-7-15-33-21)25(31)24(30)27-19-10-4-5-11-19/h1-3,7-9,13,15,19-20,22H,4-6,10-12,14,16-17H2,(H,26,29)(H,27,30)/t20-,22-/m1/s1.
What are the key properties of N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide?
N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide has a molecular weight of 453.54 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(furan-2-ylmethyl)-N'-[(1R)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]oxamide is sourced from PubChem (CID 25412581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).