N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide

C20H24N2O2 — CID 4316551

IUPACN-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(NC(=O)CC)cc2C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-5-19(23)21-15-7-9-17(13(3)11-15)18-10-8-16(12-14(18)4)22-20(24)6-2/h7-12H,5-6H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDQKYCFVUPXQABA-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.67
Rot. Bonds5

About N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide

N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide (PubChem CID 4316551) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
PubChem CID4316551
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2ccc(NC(=O)CC)cc2C)c(C)c1
InChIInChI=1S/C20H24N2O2/c1-5-19(23)21-15-7-9-17(13(3)11-15)18-10-8-16(12-14(18)4)22-20(24)6-2/h7-12H,5-6H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyDQKYCFVUPXQABA-UHFFFAOYSA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3,4-diphenylphenyl)propanamide
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N-(3-methyl-4-propoxyphenyl)propanamide
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N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]propanamide
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N-(3,4-difluorophenyl)propanamide
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N-[3-methyl-4-(1,2,2-tricyanoethenylamino)phenyl]propanamide
CID 168607107
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-(2,3-dimethylquinoxalin-6-yl)propanamide
CID 110723790
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
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CID 43708679
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide?
The IUPAC name of N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide (CID 4316551) is N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide.
What is the SMILES notation for N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide?
The canonical SMILES for N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2ccc(NC(=O)CC)cc2C)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide?
The InChIKey is DQKYCFVUPXQABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-5-19(23)21-15-7-9-17(13(3)11-15)18-10-8-16(12-14(18)4)22-20(24)6-2/h7-12H,5-6H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide?
N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide has a molecular weight of 324.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[2-methyl-4-(propanoylamino)phenyl]phenyl]propanamide is sourced from PubChem (CID 4316551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).