N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C16H26N2O3 — CID 110014380

IUPACN-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N(C)C(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O3/c1-9(19)13(17-15(20)12-7-8-12)16(21)18(2)14(10-3-4-10)11-5-6-11/h9-14,19H,3-8H2,1-2H3,(H,17,20)
InChIKeyZIACLQRXZRHJQS-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.91
Rot. Bonds7

About N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 110014380) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID110014380
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)N(C)C(C1CC1)C1CC1
InChIInChI=1S/C16H26N2O3/c1-9(19)13(17-15(20)12-7-8-12)16(21)18(2)14(10-3-4-10)11-5-6-11/h9-14,19H,3-8H2,1-2H3,(H,17,20)
InChIKeyZIACLQRXZRHJQS-UHFFFAOYSA-N
XLogP0.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-hydroxy-1-[methyl-(2-methyl-1-phenylpropyl)amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014606
N-[1-[1-(2-fluorophenyl)ethyl-methylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110013976
N-[1-[cyclopropyl-(4-ethylcyclohexyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014294
N-[3-hydroxy-1-oxo-1-(4-propan-2-ylpiperidin-1-yl)butan-2-yl]cyclopropanecarboxamide
CID 110015987
N-[3-hydroxy-1-[methyl-[(2-methylphenyl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015083
N-[3-hydroxy-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 86785000
N-[1-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014814
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
ethane;N-hydroxy-4-propan-2-ylcyclohexane-1-carboxamide
CID 167456902
N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015893
(2S,3S)-3-hydroxy-2-[(3-sulfocyclopentanecarbonyl)amino]butanoic acid
CID 140895558
N-[1-(2,3-dimethylpyrrolidin-1-yl)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110016102

Frequently Asked Questions

What is the IUPAC name of N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 110014380) is N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(O)C(NC(=O)C1CC1)C(=O)N(C)C(C1CC1)C1CC1.
What is the InChIKey of N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is ZIACLQRXZRHJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-9(19)13(17-15(20)12-7-8-12)16(21)18(2)14(10-3-4-10)11-5-6-11/h9-14,19H,3-8H2,1-2H3,(H,17,20).
What are the key properties of N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 294.39 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[dicyclopropylmethyl(methyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 110014380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).