N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C19H32N2O3 — CID 110014294

IUPACN-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCCC1CCC(N(C(=O)C(NC(=O)C2CC2)C(C)O)C2CC2)CC1
InChIInChI=1S/C19H32N2O3/c1-3-13-4-8-15(9-5-13)21(16-10-11-16)19(24)17(12(2)22)20-18(23)14-6-7-14/h12-17,22H,3-11H2,1-2H3,(H,20,23)
InChIKeyDLEQTWASGUDFAY-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.22
Rot. Bonds7

About N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110014294) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110014294
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCCC1CCC(N(C(=O)C(NC(=O)C2CC2)C(C)O)C2CC2)CC1
InChIInChI=1S/C19H32N2O3/c1-3-13-4-8-15(9-5-13)21(16-10-11-16)19(24)17(12(2)22)20-18(23)14-6-7-14/h12-17,22H,3-11H2,1-2H3,(H,20,23)
InChIKeyDLEQTWASGUDFAY-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110014294) is N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CCC1CCC(N(C(=O)C(NC(=O)C2CC2)C(C)O)C2CC2)CC1.
What is the InChIKey of N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is DLEQTWASGUDFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-3-13-4-8-15(9-5-13)21(16-10-11-16)19(24)17(12(2)22)20-18(23)14-6-7-14/h12-17,22H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 336.48 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110014294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).