[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate

C19H29NO4 — CID 70380566

IUPAC[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate
SMILESCCCCCC(CCC(=O)NCc1cccc(OC)c1)OC(C)=O
InChIInChI=1S/C19H29NO4/c1-4-5-6-9-17(24-15(2)21)11-12-19(22)20-14-16-8-7-10-18(13-16)23-3/h7-8,10,13,17H,4-6,9,11-12,14H2,1-3H3,(H,20,22)
InChIKeyYWSLQUGBMZDEPG-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.60
Rot. Bonds11

About [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate

[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate (PubChem CID 70380566) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate.

Molecular Properties

Compound Name[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate
PubChem CID70380566
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate
SMILESCCCCCC(CCC(=O)NCc1cccc(OC)c1)OC(C)=O
InChIInChI=1S/C19H29NO4/c1-4-5-6-9-17(24-15(2)21)11-12-19(22)20-14-16-8-7-10-18(13-16)23-3/h7-8,10,13,17H,4-6,9,11-12,14H2,1-3H3,(H,20,22)
InChIKeyYWSLQUGBMZDEPG-UHFFFAOYSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-methoxyphenyl)methyl]octadec-9-enamide
CID 86237122
N-[(3-methoxyphenyl)methyl]-2-methylhexanamide
CID 163830422
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-N'-(4-phenylbutan-2-yl)pentanediamide
CID 5145094
N-[[3-(trifluoromethoxy)phenyl]methyl]hexanamide
CID 118576354
4-[(4S)-1-(benzylamino)-1-oxodecan-4-yl]oxy-4-oxobutanoic acid
CID 10691000
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
N-heptan-2-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71107037
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080

Frequently Asked Questions

What is the IUPAC name of [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate?
The IUPAC name of [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate (CID 70380566) is [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate.
What is the SMILES notation for [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate?
The canonical SMILES for [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate is CCCCCC(CCC(=O)NCc1cccc(OC)c1)OC(C)=O.
What is the InChIKey of [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate?
The InChIKey is YWSLQUGBMZDEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-4-5-6-9-17(24-15(2)21)11-12-19(22)20-14-16-8-7-10-18(13-16)23-3/h7-8,10,13,17H,4-6,9,11-12,14H2,1-3H3,(H,20,22).
What are the key properties of [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate?
[1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate has a molecular weight of 335.44 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-methoxyphenyl)methylamino]-1-oxononan-4-yl] acetate is sourced from PubChem (CID 70380566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).