1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide

C16H19N3O3 — CID 119783908

IUPAC1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O3/c17-16(7-8-16)15(22)18-9-3-4-10-19-13(20)11-5-1-2-6-12(11)14(19)21/h1-2,5-6H,3-4,7-10,17H2,(H,18,22)
InChIKeyGVSVDJKFDVUMFA-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.67
Rot. Bonds6

About 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide

1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide (PubChem CID 119783908) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide
PubChem CID119783908
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O3/c17-16(7-8-16)15(22)18-9-3-4-10-19-13(20)11-5-1-2-6-12(11)14(19)21/h1-2,5-6H,3-4,7-10,17H2,(H,18,22)
InChIKeyGVSVDJKFDVUMFA-UHFFFAOYSA-N
XLogP0.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
N-[4-(1,3-dioxoisoindol-2-yl)butyl]-4-(methylamino)butanamide
CID 119783914
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]pentanamide
CID 120562654
6-[3-(1,3-dioxoisoindol-2-yl)propylcarbamoylamino]hexanoic acid
CID 108889388
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-propylguanidine
CID 111810690
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
1-[4-(1,3-dioxoisoindol-2-yl)butyl]-2-(2-methylpropyl)guanidine
CID 111810654
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide (CID 119783908) is 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide?
The InChIKey is GVSVDJKFDVUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-16(7-8-16)15(22)18-9-3-4-10-19-13(20)11-5-1-2-6-12(11)14(19)21/h1-2,5-6H,3-4,7-10,17H2,(H,18,22).
What are the key properties of 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide?
1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119783908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).