N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide

C20H30F2N2O2 — CID 69399079

IUPACN-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(O)C(NC1(CCC(C)C)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H30F2N2O2/c1-12(2)5-6-20(7-8-20)24-18(19(26)13(3)23-14(4)25)15-9-16(21)11-17(22)10-15/h9-13,18-19,24,26H,5-8H2,1-4H3,(H,23,25)
InChIKeyMOTUANAOUKQUJG-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.45
Rot. Bonds9

About N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide

N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide (PubChem CID 69399079) has the molecular formula C20H30F2N2O2 and a molecular weight of 368.47 g/mol. Its IUPAC name is N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide
PubChem CID69399079
Molecular FormulaC20H30F2N2O2
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC NameN-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide
SMILESCC(=O)NC(C)C(O)C(NC1(CCC(C)C)CC1)c1cc(F)cc(F)c1
InChIInChI=1S/C20H30F2N2O2/c1-12(2)5-6-20(7-8-20)24-18(19(26)13(3)23-14(4)25)15-9-16(21)11-17(22)10-15/h9-13,18-19,24,26H,5-8H2,1-4H3,(H,23,25)
InChIKeyMOTUANAOUKQUJG-UHFFFAOYSA-N
XLogP3.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide?
The IUPAC name of N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide (CID 69399079) is N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide?
The canonical SMILES for N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide is CC(=O)NC(C)C(O)C(NC1(CCC(C)C)CC1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide?
The InChIKey is MOTUANAOUKQUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2N2O2/c1-12(2)5-6-20(7-8-20)24-18(19(26)13(3)23-14(4)25)15-9-16(21)11-17(22)10-15/h9-13,18-19,24,26H,5-8H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide?
N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide has a molecular weight of 368.47 g/mol, XLogP of 3.45, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-difluorophenyl)-3-hydroxy-4-[[1-(3-methylbutyl)cyclopropyl]amino]butan-2-yl]acetamide is sourced from PubChem (CID 69399079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).