2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide

C29H33F2N5O4 — CID 70093718

IUPAC2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NCC(=O)Nc1ccccc1.NCC(=O)Nc1ccccc1
InChIInChI=1S/C21H23F2N3O3.C8H10N2O/c1-13(2)20(26-18(27)10-14-8-15(22)11-16(23)9-14)21(29)24-12-19(28)25-17-6-4-3-5-7-17;9-6-8(11)10-7-4-2-1-3-5-7/h3-9,11,13,20H,10,12H2,1-2H3,(H,24,29)(H,25,28)(H,26,27);1-5H,6,9H2,(H,10,11)
InChIKeyXYQAHWMIXXGSKD-UHFFFAOYSA-N
MW553.61 g/mol
LogP2.99
Rot. Bonds10

About 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide

2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide (PubChem CID 70093718) has the molecular formula C29H33F2N5O4 and a molecular weight of 553.61 g/mol. Its IUPAC name is 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide
PubChem CID70093718
Molecular FormulaC29H33F2N5O4
Molecular Weight553.61 g/mol
Exact Mass553.25
IUPAC Name2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NCC(=O)Nc1ccccc1.NCC(=O)Nc1ccccc1
InChIInChI=1S/C21H23F2N3O3.C8H10N2O/c1-13(2)20(26-18(27)10-14-8-15(22)11-16(23)9-14)21(29)24-12-19(28)25-17-6-4-3-5-7-17;9-6-8(11)10-7-4-2-1-3-5-7/h3-9,11,13,20H,10,12H2,1-2H3,(H,24,29)(H,25,28)(H,26,27);1-5H,6,9H2,(H,10,11)
InChIKeyXYQAHWMIXXGSKD-UHFFFAOYSA-N
XLogP2.99
TPSA142.42 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.61
LogP ≤ 52.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17471911
N-(3,5-difluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 134061504
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
(2S)-N-(2-anilino-2-oxoethyl)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]propanamide;(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[2-oxo-2-(thiophen-2-ylamino)ethyl]propanamide
CID 70068196
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 17475044
N-(2-aminoethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119382456
benzyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22492201
3-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 84941976
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32934158
CID 177226802
CID 177226802

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide?
The IUPAC name of 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide (CID 70093718) is 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide is CC(C)C(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NCC(=O)Nc1ccccc1.NCC(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide?
The InChIKey is XYQAHWMIXXGSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3.C8H10N2O/c1-13(2)20(26-18(27)10-14-8-15(22)11-16(23)9-14)21(29)24-12-19(28)25-17-6-4-3-5-7-17;9-6-8(11)10-7-4-2-1-3-5-7/h3-9,11,13,20H,10,12H2,1-2H3,(H,24,29)(H,25,28)(H,26,27);1-5H,6,9H2,(H,10,11).
What are the key properties of 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide?
2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide has a molecular weight of 553.61 g/mol, XLogP of 2.99, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-phenylacetamide;N-(2-anilino-2-oxoethyl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 70093718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).