4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide

C22H28N2O4 — CID 4952415

IUPAC4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCNC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)27-19-9-5-17(6-10-19)21(25)23-13-14-24-22(26)18-7-11-20(12-8-18)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNKPXWOPWMDZWJN-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.42
Rot. Bonds9

About 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide

4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide (PubChem CID 4952415) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
PubChem CID4952415
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
SMILESCC(C)Oc1ccc(C(=O)NCCNC(=O)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C22H28N2O4/c1-15(2)27-19-9-5-17(6-10-19)21(25)23-13-14-24-22(26)18-7-11-20(12-8-18)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNKPXWOPWMDZWJN-UHFFFAOYSA-N
XLogP3.42
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.42
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

N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-(4-hydroxybutyl)-4-propan-2-yloxybenzamide
CID 106843629
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
2-methyl-5-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 104681875
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
N-[2-(2-methoxyphenoxy)ethyl]-4-propan-2-yloxybenzamide
CID 51545646
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide?
The IUPAC name of 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide (CID 4952415) is 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide?
The canonical SMILES for 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide is CC(C)Oc1ccc(C(=O)NCCNC(=O)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide?
The InChIKey is NKPXWOPWMDZWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-15(2)27-19-9-5-17(6-10-19)21(25)23-13-14-24-22(26)18-7-11-20(12-8-18)28-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide?
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide is sourced from PubChem (CID 4952415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).