4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide

C15H20N2O2 — CID 54904600

IUPAC4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1
InChIInChI=1S/C15H20N2O2/c16-13-3-1-12(2-4-13)15(18)17(14-5-6-14)9-11-7-8-19-10-11/h1-4,11,14H,5-10,16H2
InChIKeyVCEJCZRLUUTAIX-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.91
Rot. Bonds4

About 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide

4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 54904600) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
PubChem CID54904600
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
SMILESNc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1
InChIInChI=1S/C15H20N2O2/c16-13-3-1-12(2-4-13)15(18)17(14-5-6-14)9-11-7-8-19-10-11/h1-4,11,14H,5-10,16H2
InChIKeyVCEJCZRLUUTAIX-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 94819634
N-cyclopropyl-N-(oxolan-3-ylmethyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 47922204
4-amino-N-cyclopropyl-3-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 104782633
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzamide
CID 95054883
4-amino-2-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide;hydrochloride
CID 119715180
3-bromo-N-cyclopropyl-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 93318244
2-amino-3-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide
CID 115540392
N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 95049582
N-cyclopropyl-3-methyl-4-nitro-N-(oxolan-3-ylmethyl)benzamide
CID 47922463
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide (CID 54904600) is 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is Nc1ccc(C(=O)N(CC2CCOC2)C2CC2)cc1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is VCEJCZRLUUTAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-3-1-12(2-4-13)15(18)17(14-5-6-14)9-11-7-8-19-10-11/h1-4,11,14H,5-10,16H2.
What are the key properties of 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide?
4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 54904600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).