N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

C20H25N3O3 — CID 42932285

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCOc1ccc(CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H25N3O3/c1-14(2)19(23-17(24)11-15-7-5-4-6-8-15)20(25)22-13-16-9-10-18(26-3)21-12-16/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHZZLUDOSHCNEHM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.09
Rot. Bonds8

About N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide

N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (PubChem CID 42932285) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
PubChem CID42932285
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
SMILESCOc1ccc(CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H25N3O3/c1-14(2)19(23-17(24)11-15-7-5-4-6-8-15)20(25)22-13-16-9-10-18(26-3)21-12-16/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyHZZLUDOSHCNEHM-UHFFFAOYSA-N
XLogP2.09
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide (CID 42932285) is N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is COc1ccc(CNC(=O)C(NC(=O)Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
The InChIKey is HZZLUDOSHCNEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)19(23-17(24)11-15-7-5-4-6-8-15)20(25)22-13-16-9-10-18(26-3)21-12-16/h4-10,12,14,19H,11,13H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide?
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide has a molecular weight of 355.44 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide is sourced from PubChem (CID 42932285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).