N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide

C13H21N3O3 — CID 139457140

IUPACN-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCN1C(=O)C=CC1=O)CC(C)CCN
InChIInChI=1S/C13H21N3O3/c1-10(5-6-14)9-15(11(2)17)7-8-16-12(18)3-4-13(16)19/h3-4,10H,5-9,14H2,1-2H3
InChIKeyCVOBKQYJNFIMCB-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.26
Rot. Bonds7

About N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide

N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (PubChem CID 139457140) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
PubChem CID139457140
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCN1C(=O)C=CC1=O)CC(C)CCN
InChIInChI=1S/C13H21N3O3/c1-10(5-6-14)9-15(11(2)17)7-8-16-12(18)3-4-13(16)19/h3-4,10H,5-9,14H2,1-2H3
InChIKeyCVOBKQYJNFIMCB-UHFFFAOYSA-N
XLogP-0.26
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
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-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide (CID 139457140) is N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is CC(=O)N(CCN1C(=O)C=CC1=O)CC(C)CCN.
What is the InChIKey of N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
The InChIKey is CVOBKQYJNFIMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(5-6-14)9-15(11(2)17)7-8-16-12(18)3-4-13(16)19/h3-4,10H,5-9,14H2,1-2H3.
What are the key properties of N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide?
N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]acetamide is sourced from PubChem (CID 139457140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).