N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C14H26N2O4 — CID 103712150

IUPACN-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOCCC(C)(O)CNC(=O)CCNC(=O)C1CC1C
InChIInChI=1S/C14H26N2O4/c1-10-8-11(10)13(18)15-6-4-12(17)16-9-14(2,19)5-7-20-3/h10-11,19H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyMHEMAXKGDHGTHG-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.05
Rot. Bonds9

About N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 103712150) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID103712150
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC NameN-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOCCC(C)(O)CNC(=O)CCNC(=O)C1CC1C
InChIInChI=1S/C14H26N2O4/c1-10-8-11(10)13(18)15-6-4-12(17)16-9-14(2,19)5-7-20-3/h10-11,19H,4-9H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyMHEMAXKGDHGTHG-UHFFFAOYSA-N
XLogP0.05
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 103712150) is N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COCCC(C)(O)CNC(=O)CCNC(=O)C1CC1C.
What is the InChIKey of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is MHEMAXKGDHGTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-8-11(10)13(18)15-6-4-12(17)16-9-14(2,19)5-7-20-3/h10-11,19H,4-9H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 103712150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).