N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C13H20N4O2 — CID 115620229

IUPACN-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C13H20N4O2/c1-9-8-10(9)13(19)17-5-3-12(18)16-4-2-11-14-6-7-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyDDLUIJFGFJXYIP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.23
Rot. Bonds7

About N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 115620229) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID115620229
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)NCCc1ncc[nH]1
InChIInChI=1S/C13H20N4O2/c1-9-8-10(9)13(19)17-5-3-12(18)16-4-2-11-14-6-7-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyDDLUIJFGFJXYIP-UHFFFAOYSA-N
XLogP0.23
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 115620229) is N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)NCCc1ncc[nH]1.
What is the InChIKey of N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is DDLUIJFGFJXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-8-10(9)13(19)17-5-3-12(18)16-4-2-11-14-6-7-15-11/h6-7,9-10H,2-5,8H2,1H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-imidazol-2-yl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115620229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).