N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide

C18H29FN2O3 — CID 119598512

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(C(=O)NC(C)(CN)CC(C)C)ccc1F
InChIInChI=1S/C18H29FN2O3/c1-13(2)10-18(3,12-20)21-17(22)14-5-6-16(19)15(9-14)11-24-8-7-23-4/h5-6,9,13H,7-8,10-12,20H2,1-4H3,(H,21,22)
InChIKeyLVOJUBSBLKXZLP-UHFFFAOYSA-N
MW340.44 g/mol
LogP2.48
Rot. Bonds10

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide (PubChem CID 119598512) has the molecular formula C18H29FN2O3 and a molecular weight of 340.44 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
PubChem CID119598512
Molecular FormulaC18H29FN2O3
Molecular Weight340.44 g/mol
Exact Mass340.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
SMILESCOCCOCc1cc(C(=O)NC(C)(CN)CC(C)C)ccc1F
InChIInChI=1S/C18H29FN2O3/c1-13(2)10-18(3,12-20)21-17(22)14-5-6-16(19)15(9-14)11-24-8-7-23-4/h5-6,9,13H,7-8,10-12,20H2,1-4H3,(H,21,22)
InChIKeyLVOJUBSBLKXZLP-UHFFFAOYSA-N
XLogP2.48
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.48
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

N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
CID 119598109
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-difluorobenzamide;hydrochloride
CID 119597433
4-fluoro-3-[(3-methoxy-3-methylbutoxy)methyl]benzohydrazide
CID 107458332
N-(1-aminopropan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)-N-methylbenzamide;hydrochloride
CID 119582717
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide (CID 119598512) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide is COCCOCc1cc(C(=O)NC(C)(CN)CC(C)C)ccc1F.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
The InChIKey is LVOJUBSBLKXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O3/c1-13(2)10-18(3,12-20)21-17(22)14-5-6-16(19)15(9-14)11-24-8-7-23-4/h5-6,9,13H,7-8,10-12,20H2,1-4H3,(H,21,22).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide has a molecular weight of 340.44 g/mol, XLogP of 2.48, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide is sourced from PubChem (CID 119598512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).