4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide

C27H30N2O4 — CID 24672965

IUPAC4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-21(30)29-19-22-9-11-24(12-10-22)27(31)28-17-5-6-18-32-25-13-15-26(16-14-25)33-20-23-7-3-2-4-8-23/h2-4,7-16H,5-6,17-20H2,1H3,(H,28,31)(H,29,30)
InChIKeyFNGVLZGKWVLLDV-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.49
Rot. Bonds12

About 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide

4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide (PubChem CID 24672965) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide
PubChem CID24672965
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30N2O4/c1-21(30)29-19-22-9-11-24(12-10-22)27(31)28-17-5-6-18-32-25-13-15-26(16-14-25)33-20-23-7-3-2-4-8-23/h2-4,7-16H,5-6,17-20H2,1H3,(H,28,31)(H,29,30)
InChIKeyFNGVLZGKWVLLDV-UHFFFAOYSA-N
XLogP4.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxy-N-propylbenzamide
CID 4958389
3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoic acid
CID 67485301
methyl 3-[[4-[6-(4-phenylmethoxyphenoxy)hexyl]benzoyl]amino]propanoate
CID 67485483
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-(3-anilinopropyl)-4-phenylmethoxybenzamide
CID 56586584
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-[3-[[4-(2-methoxyethoxy)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55662715
4-(2-methoxyethoxy)-N-(2-phenylethyl)benzamide
CID 15943281
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylmethoxybenzoyl)amino]thiourea
CID 9478975
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide (CID 24672965) is 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide is CC(=O)NCc1ccc(C(=O)NCCCCOc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide?
The InChIKey is FNGVLZGKWVLLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-21(30)29-19-22-9-11-24(12-10-22)27(31)28-17-5-6-18-32-25-13-15-26(16-14-25)33-20-23-7-3-2-4-8-23/h2-4,7-16H,5-6,17-20H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide?
4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide has a molecular weight of 446.55 g/mol, XLogP of 4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-(4-phenylmethoxyphenoxy)butyl]benzamide is sourced from PubChem (CID 24672965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).