4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide

C24H30N2O3 — CID 112767636

IUPAC4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)20-10-12-21(13-11-20)29-16-17-4-6-18(7-5-17)22(27)25-14-15-26-23(28)19-8-9-19/h4-7,10-13,19H,8-9,14-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLPBODLUECUFGKZ-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.82
Rot. Bonds8

About 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide

4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (PubChem CID 112767636) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
PubChem CID112767636
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
SMILESCC(C)(C)c1ccc(OCc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C24H30N2O3/c1-24(2,3)20-10-12-21(13-11-20)29-16-17-4-6-18(7-5-17)22(27)25-14-15-26-23(28)19-8-9-19/h4-7,10-13,19H,8-9,14-16H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyLPBODLUECUFGKZ-UHFFFAOYSA-N
XLogP3.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-tert-butylphenoxy)methyl]-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 32974694
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
N-[2-(cyclopropanecarbonylamino)ethyl]-4-pentoxybenzamide
CID 78779484
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
N-[2-[4-(4-tert-butylphenoxy)butanoylamino]ethyl]cyclopropanecarboxamide
CID 51153172
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
N-[2-(4-tert-butylphenoxy)ethyl]cyclopentanecarboxamide
CID 94868061
[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537565
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121062502
4-(aminomethyl)-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 119271557
N-[2-(4-tert-butylphenoxy)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31336587

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The IUPAC name of 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide (CID 112767636) is 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The canonical SMILES for 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCNC(=O)C3CC3)cc2)cc1.
What is the InChIKey of 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
The InChIKey is LPBODLUECUFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)20-10-12-21(13-11-20)29-16-17-4-6-18(7-5-17)22(27)25-14-15-26-23(28)19-8-9-19/h4-7,10-13,19H,8-9,14-16H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide?
4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenoxy)methyl]-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide is sourced from PubChem (CID 112767636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).