N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide

C13H20N2O3 — CID 63753839

IUPACN-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-15(8-11(14)9-17-2)13(16)10-5-4-6-12(7-10)18-3/h4-7,11H,8-9,14H2,1-3H3
InChIKeyPDISDUZUZCOCDL-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.74
Rot. Bonds6

About N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide

N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide (PubChem CID 63753839) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
PubChem CID63753839
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1cccc(OC)c1
InChIInChI=1S/C13H20N2O3/c1-15(8-11(14)9-17-2)13(16)10-5-4-6-12(7-10)18-3/h4-7,11H,8-9,14H2,1-3H3
InChIKeyPDISDUZUZCOCDL-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(2-amino-3-methoxypropyl)-N-methylbenzamide
CID 63753648
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
N-(2-amino-3-methoxypropyl)-4-(dimethylamino)-N-methylbenzamide
CID 55243321
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methoxy-N-methylbenzamide
CID 125143767
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
CID 63753834
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(3-methoxyphenyl)acetamide
CID 63761521
pentyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715426

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide (CID 63753839) is N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide is COCC(N)CN(C)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide?
The InChIKey is PDISDUZUZCOCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-15(8-11(14)9-17-2)13(16)10-5-4-6-12(7-10)18-3/h4-7,11H,8-9,14H2,1-3H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide?
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide has a molecular weight of 252.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide is sourced from PubChem (CID 63753839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).