2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide

C21H27NO3 — CID 86893973

IUPAC2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide
SMILESCCCOCc1ccccc1CNC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C21H27NO3/c1-4-13-24-15-18-10-6-5-9-17(18)14-22-21(23)19-11-7-8-12-20(19)25-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,22,23)
InChIKeyVDGIZIRXGNRXQH-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.33
Rot. Bonds9

About 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide

2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide (PubChem CID 86893973) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide
PubChem CID86893973
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide
SMILESCCCOCc1ccccc1CNC(=O)c1ccccc1OC(C)C
InChIInChI=1S/C21H27NO3/c1-4-13-24-15-18-10-6-5-9-17(18)14-22-21(23)19-11-7-8-12-20(19)25-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,22,23)
InChIKeyVDGIZIRXGNRXQH-UHFFFAOYSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.33
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

2-amino-N-[[2-(propoxymethyl)phenyl]methyl]benzamide;hydrochloride
CID 119944739
N-[[2-(propoxymethyl)phenyl]methyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006475
N-[[2-(propoxymethyl)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 87020647
4-amino-N-[[2-(propoxymethyl)phenyl]methyl]pentanamide
CID 120560690
(2S)-2-amino-3,3-dimethyl-N-[[2-(propoxymethyl)phenyl]methyl]butanamide
CID 119734224
2-amino-3-methoxy-N-[[2-(propoxymethyl)phenyl]methyl]propanamide;hydrochloride
CID 120986491
propyl 2-propan-2-yloxybenzoate
CID 82186328
1-(3-methoxypropyl)-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 86999004
N-(1,2-oxazol-5-ylmethyl)-2-propan-2-yloxybenzamide
CID 122135765
2-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096796
1-[(5-bromothiophene-2-carbonyl)amino]-3-[[2-(propoxymethyl)phenyl]methyl]urea
CID 78891487
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide (CID 86893973) is 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide is CCCOCc1ccccc1CNC(=O)c1ccccc1OC(C)C.
What is the InChIKey of 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide?
The InChIKey is VDGIZIRXGNRXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-13-24-15-18-10-6-5-9-17(18)14-22-21(23)19-11-7-8-12-20(19)25-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,22,23).
What are the key properties of 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide?
2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide has a molecular weight of 341.45 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-N-[[2-(propoxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 86893973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).