N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine

C25H33N3O2 — CID 164902389

IUPACN-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(-c2ccccc2)cn1.CCC(C)C(=O)Nc1ccc(OC)cc1.[H][H]
InChIInChI=1S/C13H14N2.C12H17NO2.H2/c1-10(2)13-14-8-12(9-15-13)11-6-4-3-5-7-11;1-4-9(2)12(14)13-10-5-7-11(15-3)8-6-10;/h3-10H,1-2H3;5-9H,4H2,1-3H3,(H,13,14);1H
InChIKeyOEDUOAHQDAMUDS-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.19
Rot. Bonds6

About N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine

N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine (PubChem CID 164902389) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine
PubChem CID164902389
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(-c2ccccc2)cn1.CCC(C)C(=O)Nc1ccc(OC)cc1.[H][H]
InChIInChI=1S/C13H14N2.C12H17NO2.H2/c1-10(2)13-14-8-12(9-15-13)11-6-4-3-5-7-11;1-4-9(2)12(14)13-10-5-7-11(15-3)8-6-10;/h3-10H,1-2H3;5-9H,4H2,1-3H3,(H,13,14);1H
InChIKeyOEDUOAHQDAMUDS-UHFFFAOYSA-N
XLogP6.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 45015339
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
(2S)-N-(4-methoxyphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248611
(2R)-2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)butanamide
CID 42082581
N-(4-methoxyphenyl)-2-(4-quinoxalin-2-ylphenoxy)butanamide
CID 53112310
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)-2-phenylacetamide
CID 96564594
2-phenoxy-N-[4-[2-[4-(2-phenoxypropanoylamino)phenyl]pyrimidin-5-yl]phenyl]propanamide
CID 3884095
N-[4-(2-methoxyethoxy)phenyl]-2-(4-phenylphenoxy)butanamide
CID 17073434
(2S)-N-(4-acetamidophenyl)-2-methylbutanamide
CID 837961

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine?
The IUPAC name of N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine (CID 164902389) is N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine.
What is the SMILES notation for N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine?
The canonical SMILES for N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine is CC(C)c1ncc(-c2ccccc2)cn1.CCC(C)C(=O)Nc1ccc(OC)cc1.[H][H].
What is the InChIKey of N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine?
The InChIKey is OEDUOAHQDAMUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C12H17NO2.H2/c1-10(2)13-14-8-12(9-15-13)11-6-4-3-5-7-11;1-4-9(2)12(14)13-10-5-7-11(15-3)8-6-10;/h3-10H,1-2H3;5-9H,4H2,1-3H3,(H,13,14);1H.
What are the key properties of N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine?
N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine has a molecular weight of 407.56 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-methylbutanamide;molecular hydrogen;5-phenyl-2-propan-2-ylpyrimidine is sourced from PubChem (CID 164902389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).