N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C18H25N3O3 — CID 119666526

IUPACN-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCCCCC(CN)NC(=O)C(C)N1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C18H25N3O3/c1-4-5-6-13(10-19)20-16(22)12(3)21-17(23)14-8-7-11(2)9-15(14)18(21)24/h7-9,12-13H,4-6,10,19H2,1-3H3,(H,20,22)
InChIKeyMGMODRVQYDPVHZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.61
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 119666526) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID119666526
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCCCCC(CN)NC(=O)C(C)N1C(=O)c2ccc(C)cc2C1=O
InChIInChI=1S/C18H25N3O3/c1-4-5-6-13(10-19)20-16(22)12(3)21-17(23)14-8-7-11(2)9-15(14)18(21)24/h7-9,12-13H,4-6,10,19H2,1-3H3,(H,20,22)
InChIKeyMGMODRVQYDPVHZ-UHFFFAOYSA-N
XLogP1.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120509037
N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119995908
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816747
N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119528388
(2S)-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]hexanoic acid
CID 120614308
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
N-[(2S)-1-aminohexan-2-yl]-2,3-dimethylbutanamide
CID 171627931
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
3-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)pentanoic acid
CID 43345958
2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
CID 119346595
N-(1-aminohexan-2-yl)-3-methylbenzamide;hydrochloride
CID 119667380

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 119666526) is N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is CCCCC(CN)NC(=O)C(C)N1C(=O)c2ccc(C)cc2C1=O.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is MGMODRVQYDPVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-5-6-13(10-19)20-16(22)12(3)21-17(23)14-8-7-11(2)9-15(14)18(21)24/h7-9,12-13H,4-6,10,19H2,1-3H3,(H,20,22).
What are the key properties of N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 119666526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).