2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride

C17H24ClN3O3 — CID 119715529

IUPAC2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-3-11(2)16(18)17(23)19-13-6-4-12(5-7-13)10-20-14(21)8-9-15(20)22;/h4-7,11,16H,3,8-10,18H2,1-2H3,(H,19,23);1H
InChIKeyMEOYGDMANBSQJC-UHFFFAOYSA-N
MW353.85 g/mol
LogP2.07
Rot. Bonds6

About 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride

2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride (PubChem CID 119715529) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride
PubChem CID119715529
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1.Cl
InChIInChI=1S/C17H23N3O3.ClH/c1-3-11(2)16(18)17(23)19-13-6-4-12(5-7-13)10-20-14(21)8-9-15(20)22;/h4-7,11,16H,3,8-10,18H2,1-2H3,(H,19,23);1H
InChIKeyMEOYGDMANBSQJC-UHFFFAOYSA-N
XLogP2.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
CID 51933857
2-amino-N-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide
CID 119752267
2-amino-N-(4-chlorophenyl)-3-methylpentanamide;hydrochloride
CID 119671236
ethyl N-[1-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46431121
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119284992
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-(4-bromophenyl)-3-methylpentanamide
CID 42313538
(2S)-2-amino-N-(4-iodophenyl)-3-methylpentanamide
CID 61173167
(2S)-2-amino-N-[4-(ethylsulfonylamino)phenyl]-3-methylpentanamide
CID 61172500
2-amino-N-(4-butan-2-ylphenyl)-3-methylpentanamide
CID 43702138
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride (CID 119715529) is 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1.Cl.
What is the InChIKey of 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride?
The InChIKey is MEOYGDMANBSQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c1-3-11(2)16(18)17(23)19-13-6-4-12(5-7-13)10-20-14(21)8-9-15(20)22;/h4-7,11,16H,3,8-10,18H2,1-2H3,(H,19,23);1H.
What are the key properties of 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119715529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).