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

C15H19NO3 — CID 111446164

IUPAC4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=Cc1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H19NO3/c17-10-12-4-6-13(7-5-12)14(18)16-11-15(19)8-2-1-3-9-15/h4-7,10,19H,1-3,8-9,11H2,(H,16,18)
InChIKeyDNZUQJGGQSYHJM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.92
Rot. Bonds4

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

4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 111446164) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
PubChem CID111446164
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide
SMILESO=Cc1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H19NO3/c17-10-12-4-6-13(7-5-12)14(18)16-11-15(19)8-2-1-3-9-15/h4-7,10,19H,1-3,8-9,11H2,(H,16,18)
InChIKeyDNZUQJGGQSYHJM-UHFFFAOYSA-N
XLogP1.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-formamido-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 111539885
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
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
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[(1-hydroxycyclobutyl)methyl]-4-phenoxybenzamide
CID 111445607
N-[(1-hydroxycyclohexyl)methyl]-4-propan-2-ylsulfinylbenzamide
CID 111539894
N-[(1-hydroxycyclobutyl)methyl]naphthalene-2-carboxamide
CID 111445480
4-formyl-N-[[(4-formylbenzoyl)amino]methyl]benzamide
CID 88940421

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide (CID 111446164) is 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide is O=Cc1ccc(C(=O)NCC2(O)CCCCC2)cc1.
What is the InChIKey of 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is DNZUQJGGQSYHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-10-12-4-6-13(7-5-12)14(18)16-11-15(19)8-2-1-3-9-15/h4-7,10,19H,1-3,8-9,11H2,(H,16,18).
What are the key properties of 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide?
4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 261.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-[(1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 111446164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).