(2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide

C19H27F2N3O3 — CID 70365095

IUPAC(2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide
SMILESCC(C)CC(N)C(=O)C(F)(F)CNC(=O)[C@@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H27F2N3O3/c1-12(2)9-15(22)17(26)19(20,21)11-23-18(27)13(3)24-16(25)10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11,22H2,1-3H3,(H,23,27)(H,24,25)/t13-,15?/m1/s1
InChIKeyQRAZOALUDPXZHF-AFYYWNPRSA-N
MW383.44 g/mol
LogP1.43
Rot. Bonds10

About (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide

(2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide (PubChem CID 70365095) has the molecular formula C19H27F2N3O3 and a molecular weight of 383.44 g/mol. Its IUPAC name is (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide
PubChem CID70365095
Molecular FormulaC19H27F2N3O3
Molecular Weight383.44 g/mol
Exact Mass383.20
IUPAC Name(2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide
SMILESCC(C)CC(N)C(=O)C(F)(F)CNC(=O)[C@@H](C)NC(=O)Cc1ccccc1
InChIInChI=1S/C19H27F2N3O3/c1-12(2)9-15(22)17(26)19(20,21)11-23-18(27)13(3)24-16(25)10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11,22H2,1-3H3,(H,23,27)(H,24,25)/t13-,15?/m1/s1
InChIKeyQRAZOALUDPXZHF-AFYYWNPRSA-N
XLogP1.43
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide (CID 70365095) is (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide is CC(C)CC(N)C(=O)C(F)(F)CNC(=O)[C@@H](C)NC(=O)Cc1ccccc1.
What is the InChIKey of (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide?
The InChIKey is QRAZOALUDPXZHF-AFYYWNPRSA-N. The full InChI is InChI=1S/C19H27F2N3O3/c1-12(2)9-15(22)17(26)19(20,21)11-23-18(27)13(3)24-16(25)10-14-7-5-4-6-8-14/h4-8,12-13,15H,9-11,22H2,1-3H3,(H,23,27)(H,24,25)/t13-,15?/m1/s1.
What are the key properties of (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide?
(2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide has a molecular weight of 383.44 g/mol, XLogP of 1.43, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-amino-2,2-difluoro-6-methyl-3-oxoheptyl)-2-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 70365095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).