N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide

C15H24N2O2 — CID 63754011

IUPACN-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-5-7-13(8-6-12)15(18)17(3)9-14(16)10-19-4/h5-8,11,14H,9-10,16H2,1-4H3
InChIKeyBNWLEBQOBFTWJH-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.86
Rot. Bonds6

About N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide

N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide (PubChem CID 63754011) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
PubChem CID63754011
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide
SMILESCOCC(N)CN(C)C(=O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-11(2)12-5-7-13(8-6-12)15(18)17(3)9-14(16)10-19-4/h5-8,11,14H,9-10,16H2,1-4H3
InChIKeyBNWLEBQOBFTWJH-UHFFFAOYSA-N
XLogP1.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-3-methoxypropyl)-4-(dimethylamino)-N-methylbenzamide
CID 55243321
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)-N,3-dimethylbenzamide
CID 63753658
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(2-amino-3-methoxypropyl)-3-methoxy-N-methylbenzamide
CID 63753839
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189
N-(2-amino-3-methoxypropyl)-N,6-dimethylpyridine-2-carboxamide
CID 63753834
N-(2-amino-3-methoxypropyl)-N-methyl-2-(4-methylphenyl)acetamide
CID 63754022
N-(2-chloro-3-methoxypropyl)-4-hydroxy-N-methylbenzamide
CID 63398005
N-(2-bromo-3-methoxypropyl)-N,4-dimethylbenzamide
CID 80671004

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide?
The IUPAC name of N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide (CID 63754011) is N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide?
The canonical SMILES for N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide is COCC(N)CN(C)C(=O)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide?
The InChIKey is BNWLEBQOBFTWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)12-5-7-13(8-6-12)15(18)17(3)9-14(16)10-19-4/h5-8,11,14H,9-10,16H2,1-4H3.
What are the key properties of N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide?
N-(2-amino-3-methoxypropyl)-N-methyl-4-propan-2-ylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 1.86, 6 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-methyl-4-propan-2-ylbenzamide is sourced from PubChem (CID 63754011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).