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

C12H18N2O2 — CID 63753648

IUPACN-(2-amino-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14(8-11(13)9-16-2)12(15)10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3
InChIKeyWSNWRVKUFLQUOQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.73
Rot. Bonds5

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

N-(2-amino-3-methoxypropyl)-N-methylbenzamide (PubChem CID 63753648) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N-methylbenzamide
PubChem CID63753648
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(2-amino-3-methoxypropyl)-N-methylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c1-14(8-11(13)9-16-2)12(15)10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3
InChIKeyWSNWRVKUFLQUOQ-UHFFFAOYSA-N
XLogP0.73
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
CID 63754011
N-(2-amino-3-methoxypropyl)-4-(dimethylamino)-N-methylbenzamide
CID 55243321
N-(2-amino-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63753658
N-(2-amino-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 63754922
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839
N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
CID 63753834
2-[(2-amino-3-methoxypropyl)-methylamino]-N-benzylacetamide
CID 63761523
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
N-(2-amino-3-methoxypropyl)-N,1,3-trimethylpyrazole-4-carboxamide
CID 102802456

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylbenzamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N-methylbenzamide (CID 63753648) is N-(2-amino-3-methoxypropyl)-N-methylbenzamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N-methylbenzamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N-methylbenzamide is COCC(N)CN(C)C(=O)c1ccccc1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N-methylbenzamide?
The InChIKey is WSNWRVKUFLQUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(8-11(13)9-16-2)12(15)10-6-4-3-5-7-10/h3-7,11H,8-9,13H2,1-2H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N-methylbenzamide?
N-(2-amino-3-methoxypropyl)-N-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-methoxypropyl)-N-methylbenzamide is sourced from PubChem (CID 63753648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).