N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide

C22H25NO5 — CID 87636836

IUPACN-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide
SMILESCOc1ccc(COc2ccc(C(=O)NC3CC3)c(OC[C@@]3(C)CO3)c2)cc1
InChIInChI=1S/C22H25NO5/c1-22(14-28-22)13-27-20-11-18(9-10-19(20)21(24)23-16-5-6-16)26-12-15-3-7-17(25-2)8-4-15/h3-4,7-11,16H,5-6,12-14H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyDQPSZBSFLJYUSO-QFIPXVFZSA-N
MW383.44 g/mol
LogP3.33
Rot. Bonds9

About N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide

N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide (PubChem CID 87636836) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide
PubChem CID87636836
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC NameN-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide
SMILESCOc1ccc(COc2ccc(C(=O)NC3CC3)c(OC[C@@]3(C)CO3)c2)cc1
InChIInChI=1S/C22H25NO5/c1-22(14-28-22)13-27-20-11-18(9-10-19(20)21(24)23-16-5-6-16)26-12-15-3-7-17(25-2)8-4-15/h3-4,7-11,16H,5-6,12-14H2,1-2H3,(H,23,24)/t22-/m0/s1
InChIKeyDQPSZBSFLJYUSO-QFIPXVFZSA-N
XLogP3.33
TPSA69.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide?
The IUPAC name of N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide (CID 87636836) is N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide is COc1ccc(COc2ccc(C(=O)NC3CC3)c(OC[C@@]3(C)CO3)c2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide?
The InChIKey is DQPSZBSFLJYUSO-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H25NO5/c1-22(14-28-22)13-27-20-11-18(9-10-19(20)21(24)23-16-5-6-16)26-12-15-3-7-17(25-2)8-4-15/h3-4,7-11,16H,5-6,12-14H2,1-2H3,(H,23,24)/t22-/m0/s1.
What are the key properties of N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide?
N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide has a molecular weight of 383.44 g/mol, XLogP of 3.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(4-methoxyphenyl)methoxy]-2-[[(2R)-2-methyloxiran-2-yl]methoxy]benzamide is sourced from PubChem (CID 87636836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).