N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide

C14H18N2O4 — CID 3669993

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
SMILESCC1(C)OCC(CNC(=O)NC(=O)c2ccccc2)O1
InChIInChI=1S/C14H18N2O4/c1-14(2)19-9-11(20-14)8-15-13(18)16-12(17)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJANIWLMPSPUBRL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.28
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide (PubChem CID 3669993) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
PubChem CID3669993
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide
SMILESCC1(C)OCC(CNC(=O)NC(=O)c2ccccc2)O1
InChIInChI=1S/C14H18N2O4/c1-14(2)19-9-11(20-14)8-15-13(18)16-12(17)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJANIWLMPSPUBRL-UHFFFAOYSA-N
XLogP1.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]benzamide
CID 103762524
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-iodobenzamide
CID 44756377
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
2-[2-(aminomethyl)phenyl]-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]acetamide
CID 107389450
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
CID 107390214
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 103762597
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 103800552
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
CID 103762618
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
CID 113351467

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide (CID 3669993) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide is CC1(C)OCC(CNC(=O)NC(=O)c2ccccc2)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide?
The InChIKey is JANIWLMPSPUBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)19-9-11(20-14)8-15-13(18)16-12(17)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide has a molecular weight of 278.31 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylcarbamoyl]benzamide is sourced from PubChem (CID 3669993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).