3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide

C16H24N2O3 — CID 119800018

IUPAC3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCOCC2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c17-15-4-1-3-14(11-15)16(19)18-7-2-8-21-12-13-5-9-20-10-6-13/h1,3-4,11,13H,2,5-10,12,17H2,(H,18,19)
InChIKeyVJGZVNWQIKSSFL-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.83
Rot. Bonds7

About 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide

3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide (PubChem CID 119800018) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
PubChem CID119800018
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCOCC2CCOCC2)c1
InChIInChI=1S/C16H24N2O3/c17-15-4-1-3-14(11-15)16(19)18-7-2-8-21-12-13-5-9-20-10-6-13/h1,3-4,11,13H,2,5-10,12,17H2,(H,18,19)
InChIKeyVJGZVNWQIKSSFL-UHFFFAOYSA-N
XLogP1.83
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.83
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

3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46493024
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
3-amino-N-[3-(2-phenylethoxy)propyl]benzamide;hydrochloride
CID 119739690
3-[(3-aminobenzoyl)amino]propyl sulfamate
CID 121382844
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
3-bromo-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]benzamide
CID 18120944
5-amino-2-bromo-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 115297054
N-methyl-3-[[[N'-methyl-N-[3-(oxan-4-ylmethoxy)propyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111642389
N-[3-(cyclopropylmethoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 51222719

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide?
The IUPAC name of 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide (CID 119800018) is 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide is Nc1cccc(C(=O)NCCCOCC2CCOCC2)c1.
What is the InChIKey of 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide?
The InChIKey is VJGZVNWQIKSSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c17-15-4-1-3-14(11-15)16(19)18-7-2-8-21-12-13-5-9-20-10-6-13/h1,3-4,11,13H,2,5-10,12,17H2,(H,18,19).
What are the key properties of 3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide?
3-amino-N-[3-(oxan-4-ylmethoxy)propyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.83, 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-(oxan-4-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 119800018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).