[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid

C14H18N2O4 — CID 90422434

IUPAC[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(15-9-10-5-7-20-8-6-10)11-1-3-12(4-2-11)16-14(18)19/h1-4,10,16H,5-9H2,(H,15,17)(H,18,19)
InChIKeyUYXSMLXMETVLOH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.93
Rot. Bonds4

About [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid

[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid (PubChem CID 90422434) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
PubChem CID90422434
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C14H18N2O4/c17-13(15-9-10-5-7-20-8-6-10)11-1-3-12(4-2-11)16-14(18)19/h1-4,10,16H,5-9H2,(H,15,17)(H,18,19)
InChIKeyUYXSMLXMETVLOH-UHFFFAOYSA-N
XLogP1.93
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
4-(oxan-4-ylmethylcarbamoylamino)-N-(2-phenylethyl)benzamide
CID 72889045
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
3-bromo-4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 79462678
4-acetamido-N-(cyclohexylmethyl)benzamide
CID 2096141
N-(oxan-4-ylmethyl)-3-phenylbenzamide
CID 110736393
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63706454
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
4-bromo-3-chloro-N-(oxan-4-ylmethyl)benzamide
CID 80998003
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid?
The IUPAC name of [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid (CID 90422434) is [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid.
What is the SMILES notation for [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid?
The canonical SMILES for [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid is O=C(O)Nc1ccc(C(=O)NCC2CCOCC2)cc1.
What is the InChIKey of [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid?
The InChIKey is UYXSMLXMETVLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-13(15-9-10-5-7-20-8-6-10)11-1-3-12(4-2-11)16-14(18)19/h1-4,10,16H,5-9H2,(H,15,17)(H,18,19).
What are the key properties of [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid?
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid has a molecular weight of 278.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid is sourced from PubChem (CID 90422434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).