6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide

C16H26N2O3 — CID 60936664

IUPAC6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
SMILESCOc1cccc(CN(C)C(=O)CCCCCN)c1OC
InChIInChI=1S/C16H26N2O3/c1-18(15(19)10-5-4-6-11-17)12-13-8-7-9-14(20-2)16(13)21-3/h7-9H,4-6,10-12,17H2,1-3H3
InChIKeySRNGFXOXTNHXOO-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.18
Rot. Bonds9

About 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide

6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide (PubChem CID 60936664) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide.

Molecular Properties

Compound Name6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
PubChem CID60936664
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
SMILESCOc1cccc(CN(C)C(=O)CCCCCN)c1OC
InChIInChI=1S/C16H26N2O3/c1-18(15(19)10-5-4-6-11-17)12-13-8-7-9-14(20-2)16(13)21-3/h7-9H,4-6,10-12,17H2,1-3H3
InChIKeySRNGFXOXTNHXOO-UHFFFAOYSA-N
XLogP2.18
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
7-amino-N-[(2-methoxyphenyl)methyl]-N-methylheptanamide
CID 61027379
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726
5-amino-N-[(2,3-dimethoxyphenyl)methyl]-N,2-dimethylpentanamide
CID 104684287
6-amino-N-[(2-fluorophenyl)methyl]-N-methylhexanamide
CID 43579165
7-amino-N-[(2-chlorophenyl)methyl]-N-methylheptanamide;hydrochloride
CID 119682648
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
7-amino-N-[(4-methoxyphenyl)methyl]-N-methylheptanamide
CID 60937309
3-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpropanamide
CID 94687738
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
2-amino-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 60718962

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide?
The IUPAC name of 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide (CID 60936664) is 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide.
What is the SMILES notation for 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide?
The canonical SMILES for 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide is COc1cccc(CN(C)C(=O)CCCCCN)c1OC.
What is the InChIKey of 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide?
The InChIKey is SRNGFXOXTNHXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-18(15(19)10-5-4-6-11-17)12-13-8-7-9-14(20-2)16(13)21-3/h7-9H,4-6,10-12,17H2,1-3H3.
What are the key properties of 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide?
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide has a molecular weight of 294.39 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide is sourced from PubChem (CID 60936664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).