3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

C15H22N2O3 — CID 61276101

IUPAC3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCOCC2CCCO2)c1
InChIInChI=1S/C15H22N2O3/c16-13-5-1-4-12(10-13)15(18)17-7-3-8-19-11-14-6-2-9-20-14/h1,4-5,10,14H,2-3,6-9,11,16H2,(H,17,18)
InChIKeyUTXJYOYDSZELBY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.58
Rot. Bonds7

About 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide

3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 61276101) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID61276101
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCOCC2CCCO2)c1
InChIInChI=1S/C15H22N2O3/c16-13-5-1-4-12(10-13)15(18)17-7-3-8-19-11-14-6-2-9-20-14/h1,4-5,10,14H,2-3,6-9,11,16H2,(H,17,18)
InChIKeyUTXJYOYDSZELBY-UHFFFAOYSA-N
XLogP1.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 65350539
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
CID 119800018
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059
2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
6-oxo-N-[3-(oxolan-2-ylmethoxy)propyl]-1H-pyridine-2-carboxamide
CID 107261499
4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 78817984

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 61276101) is 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is Nc1cccc(C(=O)NCCCOCC2CCCO2)c1.
What is the InChIKey of 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is UTXJYOYDSZELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-13-5-1-4-12(10-13)15(18)17-7-3-8-19-11-14-6-2-9-20-14/h1,4-5,10,14H,2-3,6-9,11,16H2,(H,17,18).
What are the key properties of 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 61276101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).