N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide

C18H26N2O3 — CID 111463218

IUPACN-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCC1(O)CCCCC1
InChIInChI=1S/C18H26N2O3/c21-16(20-14-18(23)11-5-2-6-12-18)10-7-13-19-17(22)15-8-3-1-4-9-15/h1,3-4,8-9,23H,2,5-7,10-14H2,(H,19,22)(H,20,21)
InChIKeySZTMLRFCKMSZGR-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.01
Rot. Bonds7

About N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide

N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide (PubChem CID 111463218) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
PubChem CID111463218
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
SMILESO=C(CCCNC(=O)c1ccccc1)NCC1(O)CCCCC1
InChIInChI=1S/C18H26N2O3/c21-16(20-14-18(23)11-5-2-6-12-18)10-7-13-19-17(22)15-8-3-1-4-9-15/h1,3-4,8-9,23H,2,5-7,10-14H2,(H,19,22)(H,20,21)
InChIKeySZTMLRFCKMSZGR-UHFFFAOYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]benzamide
CID 111539734
4-benzamido-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331437
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-[4-oxo-4-(propylamino)butyl]benzamide
CID 78795088
4-chloro-N-[4-oxo-4-[(1-phenylcyclopropyl)methylamino]butyl]benzamide
CID 42145645
N-(4-hydrazinyl-4-oxobutyl)benzamide
CID 4736868
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
4-[(1-hydroxycycloheptyl)methylcarbamoylamino]butanoic acid
CID 122023208
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide (CID 111463218) is N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide is O=C(CCCNC(=O)c1ccccc1)NCC1(O)CCCCC1.
What is the InChIKey of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide?
The InChIKey is SZTMLRFCKMSZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-16(20-14-18(23)11-5-2-6-12-18)10-7-13-19-17(22)15-8-3-1-4-9-15/h1,3-4,8-9,23H,2,5-7,10-14H2,(H,19,22)(H,20,21).
What are the key properties of N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide?
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide has a molecular weight of 318.42 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide is sourced from PubChem (CID 111463218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).