N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide

C14H22N2O2 — CID 114163030

IUPACN-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
SMILESCOCC(N)CCNC(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-10-4-5-11(2)13(8-10)14(17)16-7-6-12(15)9-18-3/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyMOFOJOREEONWNN-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.40
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide

N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide (PubChem CID 114163030) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
PubChem CID114163030
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
SMILESCOCC(N)CCNC(=O)c1cc(C)ccc1C
InChIInChI=1S/C14H22N2O2/c1-10-4-5-11(2)13(8-10)14(17)16-7-6-12(15)9-18-3/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17)
InChIKeyMOFOJOREEONWNN-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
CID 106242904
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
CID 116594205
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
2-fluoro-N-(3-hydroxy-4-methoxybutyl)-4-methylbenzamide
CID 103876983
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide (CID 114163030) is N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide is COCC(N)CCNC(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide?
The InChIKey is MOFOJOREEONWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10-4-5-11(2)13(8-10)14(17)16-7-6-12(15)9-18-3/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide?
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 114163030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).