4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide

C15H20N2O3 — CID 111539885

IUPAC4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=CNc1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-11-17-13-6-4-12(5-7-13)14(19)16-10-15(20)8-2-1-3-9-15/h4-7,11,20H,1-3,8-10H2,(H,16,19)(H,17,18)
InChIKeyZGJWFBMEZWUGPP-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.68
Rot. Bonds5

About 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide

4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 111539885) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
PubChem CID111539885
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=CNc1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H20N2O3/c18-11-17-13-6-4-12(5-7-13)14(19)16-10-15(20)8-2-1-3-9-15/h4-7,11,20H,1-3,8-10H2,(H,16,19)(H,17,18)
InChIKeyZGJWFBMEZWUGPP-UHFFFAOYSA-N
XLogP1.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111446164
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[(1-hydroxycyclohexyl)methyl]-4-piperidin-1-ylbenzamide
CID 111560567
4-ethoxy-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64866990
N-[(1-hydroxycyclohexyl)methyl]-4-(1H-pyrrole-3-carbonyl)benzamide
CID 111744569
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
N-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylsulfinylbenzamide
CID 111539894
N-[4-[(1-hydroxycyclobutyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 111445635
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide (CID 111539885) is 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide is O=CNc1ccc(C(=O)NCC2(O)CCCCC2)cc1.
What is the InChIKey of 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is ZGJWFBMEZWUGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-11-17-13-6-4-12(5-7-13)14(19)16-10-15(20)8-2-1-3-9-15/h4-7,11,20H,1-3,8-10H2,(H,16,19)(H,17,18).
What are the key properties of 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide?
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 276.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 111539885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).