N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

C25H26F2N2O2 — CID 60610137

IUPACN-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C25H26F2N2O2/c1-16(2)24(25(31)28-10-9-18-12-21(26)15-22(27)13-18)29-23(30)14-17-7-8-19-5-3-4-6-20(19)11-17/h3-8,11-13,15-16,24H,9-10,14H2,1-2H3,(H,28,31)(H,29,30)
InChIKeySUVVFIULLNGPOU-UHFFFAOYSA-N
MW424.49 g/mol
LogP4.16
Rot. Bonds8

About N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (PubChem CID 60610137) has the molecular formula C25H26F2N2O2 and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
PubChem CID60610137
Molecular FormulaC25H26F2N2O2
Molecular Weight424.49 g/mol
Exact Mass424.20
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C25H26F2N2O2/c1-16(2)24(25(31)28-10-9-18-12-21(26)15-22(27)13-18)29-23(30)14-17-7-8-19-5-3-4-6-20(19)11-17/h3-8,11-13,15-16,24H,9-10,14H2,1-2H3,(H,28,31)(H,29,30)
InChIKeySUVVFIULLNGPOU-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
2-methyl-N-(2-naphthalen-2-ylethyl)propanamide
CID 118336690
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 51125355
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(2-piperidin-3-ylethyl)butanamide
CID 119558247
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575678
2-amino-N-(2-naphthalen-2-ylethyl)propanamide
CID 115152538
2-naphthalen-2-yl-N-(2-phenylethyl)acetamide
CID 26913082
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60578734

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (CID 60610137) is N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The InChIKey is SUVVFIULLNGPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O2/c1-16(2)24(25(31)28-10-9-18-12-21(26)15-22(27)13-18)29-23(30)14-17-7-8-19-5-3-4-6-20(19)11-17/h3-8,11-13,15-16,24H,9-10,14H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide has a molecular weight of 424.49 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 60610137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).