N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide

C21H25NO2 — CID 129039431

IUPACN-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2CC2)cc1COc1ccc(C)cc1C
InChIInChI=1S/C21H25NO2/c1-4-21(23)22-19-9-8-17(16-6-7-16)12-18(19)13-24-20-10-5-14(2)11-15(20)3/h5,8-12,16H,4,6-7,13H2,1-3H3,(H,22,23)
InChIKeyVINBCRVVHQEOMH-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.11
Rot. Bonds6

About N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide

N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide (PubChem CID 129039431) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
PubChem CID129039431
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C2CC2)cc1COc1ccc(C)cc1C
InChIInChI=1S/C21H25NO2/c1-4-21(23)22-19-9-8-17(16-6-7-16)12-18(19)13-24-20-10-5-14(2)11-15(20)3/h5,8-12,16H,4,6-7,13H2,1-3H3,(H,22,23)
InChIKeyVINBCRVVHQEOMH-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328
N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanethioamide
CID 129039770
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
S-methyl N-[4-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamothioate
CID 129039729
methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-propan-2-ylphenyl]carbamate
CID 129039211
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
S-methyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-ethoxyphenyl]carbamothioate
CID 129039735
N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
CID 129038856

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
The IUPAC name of N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide (CID 129039431) is N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide.
What is the SMILES notation for N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
The canonical SMILES for N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide is CCC(=O)Nc1ccc(C2CC2)cc1COc1ccc(C)cc1C.
What is the InChIKey of N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
The InChIKey is VINBCRVVHQEOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-21(23)22-19-9-8-17(16-6-7-16)12-18(19)13-24-20-10-5-14(2)11-15(20)3/h5,8-12,16H,4,6-7,13H2,1-3H3,(H,22,23).
What are the key properties of N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide?
N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide is sourced from PubChem (CID 129039431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).