N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide

C18H19N3O4 — CID 100720252

IUPACN-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-12(22)19-14-5-7-15(8-6-14)20-18(23)21-16-4-2-3-13(11-16)17-24-9-10-25-17/h2-8,11,17H,9-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyHKGMRCZJLUTFQT-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.33
Rot. Bonds4

About N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide

N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide (PubChem CID 100720252) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide
PubChem CID100720252
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Nc2cccc(C3OCCO3)c2)cc1
InChIInChI=1S/C18H19N3O4/c1-12(22)19-14-5-7-15(8-6-14)20-18(23)21-16-4-2-3-13(11-16)17-24-9-10-25-17/h2-8,11,17H,9-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyHKGMRCZJLUTFQT-UHFFFAOYSA-N
XLogP3.33
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide (CID 100720252) is N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)Nc2cccc(C3OCCO3)c2)cc1.
What is the InChIKey of N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
The InChIKey is HKGMRCZJLUTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(22)19-14-5-7-15(8-6-14)20-18(23)21-16-4-2-3-13(11-16)17-24-9-10-25-17/h2-8,11,17H,9-10H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide?
N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 100720252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).