N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide

C14H22N2O3 — CID 82364656

IUPACN-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
SMILESCOc1cccc(CNCCCNC(C)=O)c1OC
InChIInChI=1S/C14H22N2O3/c1-11(17)16-9-5-8-15-10-12-6-4-7-13(18-2)14(12)19-3/h4,6-7,15H,5,8-10H2,1-3H3,(H,16,17)
InChIKeySZXGACQNEGWTKO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.32
Rot. Bonds8

About N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide

N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide (PubChem CID 82364656) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
PubChem CID82364656
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
SMILESCOc1cccc(CNCCCNC(C)=O)c1OC
InChIInChI=1S/C14H22N2O3/c1-11(17)16-9-5-8-15-10-12-6-4-7-13(18-2)14(12)19-3/h4,6-7,15H,5,8-10H2,1-3H3,(H,16,17)
InChIKeySZXGACQNEGWTKO-UHFFFAOYSA-N
XLogP1.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632916
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
CID 59317356
CID 59317356
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyacetamide
CID 47161214
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide?
The IUPAC name of N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide (CID 82364656) is N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide is COc1cccc(CNCCCNC(C)=O)c1OC.
What is the InChIKey of N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide?
The InChIKey is SZXGACQNEGWTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(17)16-9-5-8-15-10-12-6-4-7-13(18-2)14(12)19-3/h4,6-7,15H,5,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide?
N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide is sourced from PubChem (CID 82364656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).