3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide

C14H17N3O3 — CID 81072000

IUPAC3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H17N3O3/c1-2-8(7-15)5-12(18)16-9-3-4-10-11(6-9)14(20)17-13(10)19/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyJENLTLXBLCPZBE-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.88
Rot. Bonds5

About 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide

3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide (PubChem CID 81072000) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
PubChem CID81072000
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C14H17N3O3/c1-2-8(7-15)5-12(18)16-9-3-4-10-11(6-9)14(20)17-13(10)19/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,18)(H,17,19,20)
InChIKeyJENLTLXBLCPZBE-UHFFFAOYSA-N
XLogP0.88
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
(2S)-2-amino-N-(1,3-dioxoisoindol-5-yl)-3-methylpentanamide
CID 61174389
3-(aminomethyl)-N-[3-(propanoylamino)phenyl]pentanamide
CID 81087226
3-(aminomethyl)-N-(3-bromo-4-methylphenyl)pentanamide
CID 81079486
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(6-bromonaphthalen-2-yl)pentanamide
CID 81260017
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
CID 81087961
3-(aminomethyl)-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 81075870
3-[3-(aminomethyl)pentanoylamino]-N-ethylbenzamide
CID 81075705

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide (CID 81072000) is 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide is CCC(CN)CC(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide?
The InChIKey is JENLTLXBLCPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-8(7-15)5-12(18)16-9-3-4-10-11(6-9)14(20)17-13(10)19/h3-4,6,8H,2,5,7,15H2,1H3,(H,16,18)(H,17,19,20).
What are the key properties of 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide?
3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide has a molecular weight of 275.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1,3-dioxoisoindol-5-yl)pentanamide is sourced from PubChem (CID 81072000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).