N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide

C19H28N2O3 — CID 11438981

IUPACN-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide
SMILESO=C(NOCC1CCCC1)c1ccccc1NCC1CCOCC1
InChIInChI=1S/C19H28N2O3/c22-19(21-24-14-16-5-1-2-6-16)17-7-3-4-8-18(17)20-13-15-9-11-23-12-10-15/h3-4,7-8,15-16,20H,1-2,5-6,9-14H2,(H,21,22)
InChIKeyWCFCJEFPDVOTGR-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.38
Rot. Bonds7

About N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide

N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide (PubChem CID 11438981) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide
PubChem CID11438981
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide
SMILESO=C(NOCC1CCCC1)c1ccccc1NCC1CCOCC1
InChIInChI=1S/C19H28N2O3/c22-19(21-24-14-16-5-1-2-6-16)17-7-3-4-8-18(17)20-13-15-9-11-23-12-10-15/h3-4,7-8,15-16,20H,1-2,5-6,9-14H2,(H,21,22)
InChIKeyWCFCJEFPDVOTGR-UHFFFAOYSA-N
XLogP3.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-amino-3-pyridinyl)methylamino]-N-(cyclopentylmethoxy)benzamide
CID 87282068
methyl 2-(cyclopentylmethylamino)benzoate
CID 55030315
methyl 5-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-fluorobenzoate
CID 58989927
N-(cyclopentylmethoxy)-2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]benzamide
CID 44553345
methyl 2-(cyclohexylmethylamino)benzoate
CID 43087805
N-(cyclopentylmethoxy)-2-[[2-(methylcarbamothioylamino)-4-pyridinyl]methylamino]benzamide
CID 44553843
2-(cyclohexylmethylamino)benzenecarbothioamide
CID 43371658
N-[4-[[2-(cyclopentylmethoxycarbamoyl)anilino]methyl]-2-pyridinyl]pyrrolidine-2-carboxamide
CID 149254025
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362
3-amino-2-(oxan-4-ylmethylamino)benzamide
CID 112578986
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide?
The IUPAC name of N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide (CID 11438981) is N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide.
What is the SMILES notation for N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide?
The canonical SMILES for N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide is O=C(NOCC1CCCC1)c1ccccc1NCC1CCOCC1.
What is the InChIKey of N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide?
The InChIKey is WCFCJEFPDVOTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-19(21-24-14-16-5-1-2-6-16)17-7-3-4-8-18(17)20-13-15-9-11-23-12-10-15/h3-4,7-8,15-16,20H,1-2,5-6,9-14H2,(H,21,22).
What are the key properties of N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide?
N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide has a molecular weight of 332.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethoxy)-2-(oxan-4-ylmethylamino)benzamide is sourced from PubChem (CID 11438981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).