N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

C22H25NO2 — CID 4017619

IUPACN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H25NO2/c24-22(23(15-17-8-9-17)16-21-7-4-14-25-21)20-12-10-19(11-13-20)18-5-2-1-3-6-18/h1-3,5-6,10-13,17,21H,4,7-9,14-16H2
InChIKeyRTYHFZTTZLLCNX-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.38
Rot. Bonds6

About N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide

N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (PubChem CID 4017619) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
PubChem CID4017619
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide
SMILESO=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)CC1CCCO1
InChIInChI=1S/C22H25NO2/c24-22(23(15-17-8-9-17)16-21-7-4-14-25-21)20-12-10-19(11-13-20)18-5-2-1-3-6-18/h1-3,5-6,10-13,17,21H,4,7-9,14-16H2
InChIKeyRTYHFZTTZLLCNX-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide (CID 4017619) is N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is O=C(c1ccc(-c2ccccc2)cc1)N(CC1CC1)CC1CCCO1.
What is the InChIKey of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
The InChIKey is RTYHFZTTZLLCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-22(23(15-17-8-9-17)16-21-7-4-14-25-21)20-12-10-19(11-13-20)18-5-2-1-3-6-18/h1-3,5-6,10-13,17,21H,4,7-9,14-16H2.
What are the key properties of N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide?
N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide has a molecular weight of 335.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)-4-phenylbenzamide is sourced from PubChem (CID 4017619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).