N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide

C15H24N2O3 — CID 119626863

IUPACN-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,16)11-17-14(18)12-6-4-7-13(10-12)20-9-5-8-19-3/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyYPBJKAAVAYGMEJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.57
Rot. Bonds8

About N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide

N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide (PubChem CID 119626863) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
PubChem CID119626863
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC NameN-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)NCC(C)(C)N)c1
InChIInChI=1S/C15H24N2O3/c1-15(2,16)11-17-14(18)12-6-4-7-13(10-12)20-9-5-8-19-3/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18)
InChIKeyYPBJKAAVAYGMEJ-UHFFFAOYSA-N
XLogP1.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
CID 120508145
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
N-(2-amino-2-methylpropyl)-3-pyrazin-2-yloxybenzamide
CID 119628152
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
3-N-(2-amino-2-methylpropyl)benzene-1,3-dicarboxamide
CID 81482947
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 63073270

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide (CID 119626863) is N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide is COCCCOc1cccc(C(=O)NCC(C)(C)N)c1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide?
The InChIKey is YPBJKAAVAYGMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,16)11-17-14(18)12-6-4-7-13(10-12)20-9-5-8-19-3/h4,6-7,10H,5,8-9,11,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide?
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide has a molecular weight of 280.37 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide is sourced from PubChem (CID 119626863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).