N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide

C19H21NO3 — CID 110359324

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
SMILESCC1(CCNC(=O)c2cccc(-c3ccccc3)c2)OCCO1
InChIInChI=1S/C19H21NO3/c1-19(22-12-13-23-19)10-11-20-18(21)17-9-5-8-16(14-17)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,20,21)
InChIKeyYMFXAPKGJZQDEK-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide (PubChem CID 110359324) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
PubChem CID110359324
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide
SMILESCC1(CCNC(=O)c2cccc(-c3ccccc3)c2)OCCO1
InChIInChI=1S/C19H21NO3/c1-19(22-12-13-23-19)10-11-20-18(21)17-9-5-8-16(14-17)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,20,21)
InChIKeyYMFXAPKGJZQDEK-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-5-phenylbenzamide
CID 110611916
3-methoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359279
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
N-(2-methylsulfanylethyl)-3-phenylbenzamide
CID 67213717
4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359272
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 110424101
(E)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylpent-2-enamide
CID 110618102
3,5-dimethoxy-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359281
4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
N'-methyl-3-phenylbenzohydrazide
CID 142295291

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide (CID 110359324) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide is CC1(CCNC(=O)c2cccc(-c3ccccc3)c2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide?
The InChIKey is YMFXAPKGJZQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(22-12-13-23-19)10-11-20-18(21)17-9-5-8-16(14-17)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-phenylbenzamide is sourced from PubChem (CID 110359324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).