N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C16H30N2O3 — CID 110015893

IUPACN-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(CCC(C)(C)C)NC(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C16H30N2O3/c1-10(8-9-16(3,4)5)17-15(21)13(11(2)19)18-14(20)12-6-7-12/h10-13,19H,6-9H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyMIPCPXSUWMTFAH-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.59
Rot. Bonds7

About N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110015893) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110015893
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(CCC(C)(C)C)NC(=O)C(NC(=O)C1CC1)C(C)O
InChIInChI=1S/C16H30N2O3/c1-10(8-9-16(3,4)5)17-15(21)13(11(2)19)18-14(20)12-6-7-12/h10-13,19H,6-9H2,1-5H3,(H,17,21)(H,18,20)
InChIKeyMIPCPXSUWMTFAH-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110015893) is N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(CCC(C)(C)C)NC(=O)C(NC(=O)C1CC1)C(C)O.
What is the InChIKey of N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is MIPCPXSUWMTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-10(8-9-16(3,4)5)17-15(21)13(11(2)19)18-14(20)12-6-7-12/h10-13,19H,6-9H2,1-5H3,(H,17,21)(H,18,20).
What are the key properties of N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 298.43 g/mol, XLogP of 1.59, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110015893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).