2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide

C13H20N2O3 — CID 118770535

IUPAC2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(OCCCN)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-15(2)13(16)11-9-10(17-3)5-6-12(11)18-8-4-7-14/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyNXAHNUWAYBILGC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.12
Rot. Bonds6

About 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide

2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide (PubChem CID 118770535) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
PubChem CID118770535
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(OCCCN)c(C(=O)N(C)C)c1
InChIInChI=1S/C13H20N2O3/c1-15(2)13(16)11-9-10(17-3)5-6-12(11)18-8-4-7-14/h5-6,9H,4,7-8,14H2,1-3H3
InChIKeyNXAHNUWAYBILGC-UHFFFAOYSA-N
XLogP1.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.12
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

N-(3-aminopropyl)-2,5-dimethoxy-N-(2-methoxyethyl)benzamide
CID 63287508
2-(2-aminoethylamino)-5-methoxy-N,N-dimethylbenzamide
CID 71038909
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-(3-aminopropoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-5-methoxybenzamide
CID 118783095
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366
1-(2-butoxy-5-methoxyphenyl)propane-1,2-dione
CID 156703603
2-[2-(3-aminopropoxy)-5-methoxybenzoyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 118770151
[2-(3-aminopropoxy)-5-methoxyphenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 118777830
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
5-methoxy-2-(3-methylbut-3-enoxy)benzoic acid
CID 114471317
[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
CID 118792922
3-[2-(aminomethyl)-5-methoxyphenoxy]-N,N-dimethylpropanamide
CID 61269630

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide (CID 118770535) is 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide is COc1ccc(OCCCN)c(C(=O)N(C)C)c1.
What is the InChIKey of 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide?
The InChIKey is NXAHNUWAYBILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(2)13(16)11-9-10(17-3)5-6-12(11)18-8-4-7-14/h5-6,9H,4,7-8,14H2,1-3H3.
What are the key properties of 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide?
2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-5-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 118770535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).