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

C18H30N2O3 — CID 119598109

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-14(2)12-18(3,13-19)20-17(21)15-7-5-8-16(11-15)23-10-6-9-22-4/h5,7-8,11,14H,6,9-10,12-13,19H2,1-4H3,(H,20,21)
InChIKeyZQSIZLJWYWVUKU-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.60
Rot. Bonds10

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

N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide (PubChem CID 119598109) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
PubChem CID119598109
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide
SMILESCOCCCOc1cccc(C(=O)NC(C)(CN)CC(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-14(2)12-18(3,13-19)20-17(21)15-7-5-8-16(11-15)23-10-6-9-22-4/h5,7-8,11,14H,6,9-10,12-13,19H2,1-4H3,(H,20,21)
InChIKeyZQSIZLJWYWVUKU-UHFFFAOYSA-N
XLogP2.60
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.60
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-(methoxymethyl)benzamide;hydrochloride
CID 119600158
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119597522
N-[(2S)-1-aminopropan-2-yl]-3-(3-methoxypropoxy)benzamide
CID 120508145
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-methylphenoxy)butanamide
CID 119598722
N-(2-amino-2-methylpropyl)-3-(3-methoxypropoxy)benzamide
CID 119626863
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide;dihydrochloride
CID 119598984
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide
CID 119598512
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methylbenzamide
CID 81486078
N-(1-amino-2,4-dimethylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 81487072

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide (CID 119598109) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide is COCCCOc1cccc(C(=O)NC(C)(CN)CC(C)C)c1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide?
The InChIKey is ZQSIZLJWYWVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-14(2)12-18(3,13-19)20-17(21)15-7-5-8-16(11-15)23-10-6-9-22-4/h5,7-8,11,14H,6,9-10,12-13,19H2,1-4H3,(H,20,21).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxypropoxy)benzamide has a molecular weight of 322.45 g/mol, XLogP of 2.60, 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)-3-(3-methoxypropoxy)benzamide is sourced from PubChem (CID 119598109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).