N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide

C22H27NO3 — CID 42925489

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
SMILESCOc1ccc(C(NC(=O)CCCOc2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C22H27NO3/c1-16-5-11-20(12-6-16)26-15-3-4-21(24)23-22(17-7-8-17)18-9-13-19(25-2)14-10-18/h5-6,9-14,17,22H,3-4,7-8,15H2,1-2H3,(H,23,24)
InChIKeyDQNXSSUPHQFZSG-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.43
Rot. Bonds9

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide (PubChem CID 42925489) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
PubChem CID42925489
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
SMILESCOc1ccc(C(NC(=O)CCCOc2ccc(C)cc2)C2CC2)cc1
InChIInChI=1S/C22H27NO3/c1-16-5-11-20(12-6-16)26-15-3-4-21(24)23-22(17-7-8-17)18-9-13-19(25-2)14-10-18/h5-6,9-14,17,22H,3-4,7-8,15H2,1-2H3,(H,23,24)
InChIKeyDQNXSSUPHQFZSG-UHFFFAOYSA-N
XLogP4.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-4-(2-ethoxyphenoxy)butanamide
CID 55478527
4-(4-methoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]butanamide
CID 30390615
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2-methoxy-5-methylanilino)acetamide
CID 55540383
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl-(4-methylphenyl)methyl]-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 55478188
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 51927573
1-[cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-phenoxyethyl)urea
CID 17435926
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
N-[2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 55478443

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide (CID 42925489) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide is COc1ccc(C(NC(=O)CCCOc2ccc(C)cc2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is DQNXSSUPHQFZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16-5-11-20(12-6-16)26-15-3-4-21(24)23-22(17-7-8-17)18-9-13-19(25-2)14-10-18/h5-6,9-14,17,22H,3-4,7-8,15H2,1-2H3,(H,23,24).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 353.46 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 42925489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).