N'-(3-acetyl-5-methylphenyl)decanediamide

C19H28N2O3 — CID 143191869

IUPACN'-(3-acetyl-5-methylphenyl)decanediamide
SMILESCC(=O)c1cc(C)cc(NC(=O)CCCCCCCCC(N)=O)c1
InChIInChI=1S/C19H28N2O3/c1-14-11-16(15(2)22)13-17(12-14)21-19(24)10-8-6-4-3-5-7-9-18(20)23/h11-13H,3-10H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyVWDVJNKGYIIFHR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.74
Rot. Bonds11

About N'-(3-acetyl-5-methylphenyl)decanediamide

N'-(3-acetyl-5-methylphenyl)decanediamide (PubChem CID 143191869) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N'-(3-acetyl-5-methylphenyl)decanediamide.

Molecular Properties

Compound NameN'-(3-acetyl-5-methylphenyl)decanediamide
PubChem CID143191869
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN'-(3-acetyl-5-methylphenyl)decanediamide
SMILESCC(=O)c1cc(C)cc(NC(=O)CCCCCCCCC(N)=O)c1
InChIInChI=1S/C19H28N2O3/c1-14-11-16(15(2)22)13-17(12-14)21-19(24)10-8-6-4-3-5-7-9-18(20)23/h11-13H,3-10H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyVWDVJNKGYIIFHR-UHFFFAOYSA-N
XLogP3.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3,5-diacetylphenyl)dodecanediamide
CID 67588314
N'-(3,5-diacetylphenyl)nonanediamide
CID 67588670
N,N'-bis(3,5-diacetylphenyl)octanediamide
CID 15541279
N'-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide;N-[3-acetyl-5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-N'-(3,5-diacetylphenyl)decanediamide;N,N'-bis(3,5-diacetylphenyl)decanediamide
CID 172953339
N'-(3,5-dimethylphenyl)-N-(4-methylphenyl)decanediamide
CID 173312766
N'-[2,6-bis(bromomethyl)-4-pyridinyl]hexanediamide
CID 155319518
3,5-bis(dodecanoylamino)benzoic acid
CID 3575091
3,5-bis(tridecanoylamino)benzoic acid
CID 142485960
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
5-(dodecanoylamino)benzene-1,3-dicarboxylic acid
CID 2832516
N-(3,5-dimethylphenyl)-4-(ethylamino)butanamide
CID 67275978
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetyl-5-methylphenyl)decanediamide?
The IUPAC name of N'-(3-acetyl-5-methylphenyl)decanediamide (CID 143191869) is N'-(3-acetyl-5-methylphenyl)decanediamide.
What is the SMILES notation for N'-(3-acetyl-5-methylphenyl)decanediamide?
The canonical SMILES for N'-(3-acetyl-5-methylphenyl)decanediamide is CC(=O)c1cc(C)cc(NC(=O)CCCCCCCCC(N)=O)c1.
What is the InChIKey of N'-(3-acetyl-5-methylphenyl)decanediamide?
The InChIKey is VWDVJNKGYIIFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-11-16(15(2)22)13-17(12-14)21-19(24)10-8-6-4-3-5-7-9-18(20)23/h11-13H,3-10H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of N'-(3-acetyl-5-methylphenyl)decanediamide?
N'-(3-acetyl-5-methylphenyl)decanediamide has a molecular weight of 332.44 g/mol, XLogP of 3.74, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetyl-5-methylphenyl)decanediamide is sourced from PubChem (CID 143191869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).