3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide

C25H27N3O3 — CID 60581087

IUPAC3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1cc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)ccc1Oc1cccnc1
InChIInChI=1S/C25H27N3O3/c1-17(2)24(28-23(29)15-19-8-5-4-6-9-19)25(30)27-20-11-12-22(18(3)14-20)31-21-10-7-13-26-16-21/h4-14,16-17,24H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyMPYQGYJJQXVWSO-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.50
Rot. Bonds8

About 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide

3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 60581087) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
PubChem CID60581087
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide
SMILESCc1cc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)ccc1Oc1cccnc1
InChIInChI=1S/C25H27N3O3/c1-17(2)24(28-23(29)15-19-8-5-4-6-9-19)25(30)27-20-11-12-22(18(3)14-20)31-21-10-7-13-26-16-21/h4-14,16-17,24H,15H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyMPYQGYJJQXVWSO-UHFFFAOYSA-N
XLogP4.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 60581011
N-[1-(3-methyl-4-pyridin-3-yloxyanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 60582304
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
3-(4-methylphenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)propanamide
CID 60581343
7-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)heptanamide
CID 119864464
3,3-dimethyl-5-(3-methyl-4-pyridin-3-yloxyanilino)-5-oxopentanoic acid
CID 47704346
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide (CID 60581087) is 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide is Cc1cc(NC(=O)C(NC(=O)Cc2ccccc2)C(C)C)ccc1Oc1cccnc1.
What is the InChIKey of 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is MPYQGYJJQXVWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(2)24(28-23(29)15-19-8-5-4-6-9-19)25(30)27-20-11-12-22(18(3)14-20)31-21-10-7-13-26-16-21/h4-14,16-17,24H,15H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide?
3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 417.51 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 60581087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).