4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide

C23H26N2O4 — CID 48585204

IUPAC4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C23H26N2O4/c1-27-22-13-18(14-24)9-10-21(22)29-11-3-6-23(26)25-20-5-2-4-19(12-20)16-28-15-17-7-8-17/h2,4-5,9-10,12-13,17H,3,6-8,11,15-16H2,1H3,(H,25,26)
InChIKeyZZDJVMNMKNVCIP-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.29
Rot. Bonds11

About 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide

4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide (PubChem CID 48585204) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
PubChem CID48585204
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
SMILESCOc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(COCC2CC2)c1
InChIInChI=1S/C23H26N2O4/c1-27-22-13-18(14-24)9-10-21(22)29-11-3-6-23(26)25-20-5-2-4-19(12-20)16-28-15-17-7-8-17/h2,4-5,9-10,12-13,17H,3,6-8,11,15-16H2,1H3,(H,25,26)
InChIKeyZZDJVMNMKNVCIP-UHFFFAOYSA-N
XLogP4.29
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-cyano-2-methoxyphenoxy)-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 55719091
4-(4-cyano-2-methoxyphenoxy)-N-[3-(difluoromethoxy)phenyl]butanamide
CID 55742192
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
4-(4-cyano-2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)butanamide
CID 46484895
4-(4-cyano-2-methoxyphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]butanamide
CID 46470544
N-[3-[[4-(4-cyano-2-methoxyphenoxy)butanoylamino]methyl]phenyl]-3-fluorobenzamide
CID 55894063
N-(3-cyanophenyl)-4-(2-cyclopropylethoxy)butanamide
CID 106201586
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
CID 48584262
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
2-(4-cyano-2-methoxyphenoxy)-N-[3-[(dimethylamino)methyl]phenyl]acetamide
CID 86932038
4-(4-cyano-2-methoxyphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 78789106
N-(3-cyanophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110428452

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide?
The IUPAC name of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide (CID 48585204) is 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide?
The canonical SMILES for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide is COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(COCC2CC2)c1.
What is the InChIKey of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide?
The InChIKey is ZZDJVMNMKNVCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-27-22-13-18(14-24)9-10-21(22)29-11-3-6-23(26)25-20-5-2-4-19(12-20)16-28-15-17-7-8-17/h2,4-5,9-10,12-13,17H,3,6-8,11,15-16H2,1H3,(H,25,26).
What are the key properties of 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide?
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide has a molecular weight of 394.47 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide is sourced from PubChem (CID 48585204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).