N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

C17H21N3O3 — CID 119565968

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NC1(CN)CCCC1)C2=O
InChIInChI=1S/C17H21N3O3/c1-11-4-5-12-13(8-11)16(23)20(15(12)22)9-14(21)19-17(10-18)6-2-3-7-17/h4-5,8H,2-3,6-7,9-10,18H2,1H3,(H,19,21)
InChIKeyKVBIGGJDPYBUKU-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.98
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide

N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 119565968) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
PubChem CID119565968
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NC1(CN)CCCC1)C2=O
InChIInChI=1S/C17H21N3O3/c1-11-4-5-12-13(8-11)16(23)20(15(12)22)9-14(21)19-17(10-18)6-2-3-7-17/h4-5,8H,2-3,6-7,9-10,18H2,1H3,(H,19,21)
InChIKeyKVBIGGJDPYBUKU-UHFFFAOYSA-N
XLogP0.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide (CID 119565968) is N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc2c(c1)C(=O)N(CC(=O)NC1(CN)CCCC1)C2=O.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is KVBIGGJDPYBUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-4-5-12-13(8-11)16(23)20(15(12)22)9-14(21)19-17(10-18)6-2-3-7-17/h4-5,8H,2-3,6-7,9-10,18H2,1H3,(H,19,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 119565968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).