N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide

C19H25N3O5 — CID 7423650

IUPACN'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C19H25N3O5/c1-13(23)21-14-5-7-15(8-6-14)22-18(25)17(24)20-11-16-12-26-19(27-16)9-3-2-4-10-19/h5-8,16H,2-4,9-12H2,1H3,(H,20,24)(H,21,23)(H,22,25)/t16-/m1/s1
InChIKeyPOTMDKDEMQLFQE-MRXNPFEDSA-N
MW375.43 g/mol
LogP1.78
Rot. Bonds4

About N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide

N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide (PubChem CID 7423650) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
PubChem CID7423650
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1
InChIInChI=1S/C19H25N3O5/c1-13(23)21-14-5-7-15(8-6-14)22-18(25)17(24)20-11-16-12-26-19(27-16)9-3-2-4-10-19/h5-8,16H,2-4,9-12H2,1H3,(H,20,24)(H,21,23)(H,22,25)/t16-/m1/s1
InChIKeyPOTMDKDEMQLFQE-MRXNPFEDSA-N
XLogP1.78
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorophenyl)-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)oxamide
CID 18583871
N'-[4-(dimethylamino)phenyl]-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7647171
N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 7423716
N'-(3,4-dimethoxyphenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423674
N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 7423612
N'-(3,4-dimethoxyphenyl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584032
N'-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N-methyloxamide
CID 18583865
N'-(3-chlorophenyl)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide
CID 7423611
N-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-N'-(3-methylphenyl)oxamide
CID 7423725
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)oxamide
CID 18584028
N'-(3-chloro-4-fluorophenyl)-N-[[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]oxamide
CID 7423776
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-N'-(2-methoxyphenyl)oxamide
CID 18583883

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide (CID 7423650) is N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
The InChIKey is POTMDKDEMQLFQE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-13(23)21-14-5-7-15(8-6-14)22-18(25)17(24)20-11-16-12-26-19(27-16)9-3-2-4-10-19/h5-8,16H,2-4,9-12H2,1H3,(H,20,24)(H,21,23)(H,22,25)/t16-/m1/s1.
What are the key properties of N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide?
N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide has a molecular weight of 375.43 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]oxamide is sourced from PubChem (CID 7423650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).