N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

C17H23N3O3 — CID 119659914

IUPACN-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H23N3O3/c1-11(2)14(18)8-9-19(3)15(21)10-20-16(22)12-6-4-5-7-13(12)17(20)23/h4-7,11,14H,8-10,18H2,1-3H3
InChIKeyUSAQBYHXYSOTEP-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.11
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (PubChem CID 119659914) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
PubChem CID119659914
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H23N3O3/c1-11(2)14(18)8-9-19(3)15(21)10-20-16(22)12-6-4-5-7-13(12)17(20)23/h4-7,11,14H,8-10,18H2,1-3H3
InChIKeyUSAQBYHXYSOTEP-UHFFFAOYSA-N
XLogP1.11
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 119660125
N-(3-amino-4-methylpentyl)-N-methyl-2-(1-oxophthalazin-2-yl)acetamide;hydrochloride
CID 119657464
N-(3-amino-2,2-dimethylpropyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 119655397
N-(3-amino-4-methylpentyl)-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-methylacetamide
CID 119659586
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733447
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 4820736
methyl 2-methyl-3-[methyl-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]amino]propanoate
CID 55838452
N-(3-amino-4-methylpentyl)-N-methyl-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119657249
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-benzhydryl-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 8918958
N-[(1R)-1-cyclopropylethyl]-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide
CID 51547425
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide (CID 119659914) is N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is CC(C)C(N)CCN(C)C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
The InChIKey is USAQBYHXYSOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)14(18)8-9-19(3)15(21)10-20-16(22)12-6-4-5-7-13(12)17(20)23/h4-7,11,14H,8-10,18H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide has a molecular weight of 317.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(1,3-dioxoisoindol-2-yl)-N-methylacetamide is sourced from PubChem (CID 119659914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).