7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride

C18H28ClN3O2 — CID 119802718

IUPAC7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
SMILESCc1ccc(N2CCC(NC(=O)CCCCCCN)C2=O)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-7-9-15(10-8-14)21-13-11-16(18(21)23)20-17(22)6-4-2-3-5-12-19;/h7-10,16H,2-6,11-13,19H2,1H3,(H,20,22);1H
InChIKeyRURDVRYUIRWYNH-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.55
Rot. Bonds8

About 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride

7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride (PubChem CID 119802718) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
PubChem CID119802718
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
SMILESCc1ccc(N2CCC(NC(=O)CCCCCCN)C2=O)cc1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-7-9-15(10-8-14)21-13-11-16(18(21)23)20-17(22)6-4-2-3-5-12-19;/h7-10,16H,2-6,11-13,19H2,1H3,(H,20,22);1H
InChIKeyRURDVRYUIRWYNH-UHFFFAOYSA-N
XLogP2.55
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119795297
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
3-(2-aminophenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 120611290
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119798450
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
3-(1,5-dimethylpyrazol-4-yl)-N-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]propanamide
CID 124576330
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]butanamide;hydrochloride
CID 119802744
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781200

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride (CID 119802718) is 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride is Cc1ccc(N2CCC(NC(=O)CCCCCCN)C2=O)cc1.Cl.
What is the InChIKey of 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
The InChIKey is RURDVRYUIRWYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-14-7-9-15(10-8-14)21-13-11-16(18(21)23)20-17(22)6-4-2-3-5-12-19;/h7-10,16H,2-6,11-13,19H2,1H3,(H,20,22);1H.
What are the key properties of 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride?
7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119802718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).