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

C16H24N2O3 — CID 61378454

IUPAC2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCNc1ccccc1C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C16H24N2O3/c1-17-15-8-3-2-7-14(15)16(19)18-9-5-10-20-12-13-6-4-11-21-13/h2-3,7-8,13,17H,4-6,9-12H2,1H3,(H,18,19)
InChIKeyNPGXJFCWAGXJJY-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds8

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

2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (PubChem CID 61378454) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
PubChem CID61378454
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
SMILESCNc1ccccc1C(=O)NCCCOCC1CCCO1
InChIInChI=1S/C16H24N2O3/c1-17-15-8-3-2-7-14(15)16(19)18-9-5-10-20-12-13-6-4-11-21-13/h2-3,7-8,13,17H,4-6,9-12H2,1H3,(H,18,19)
InChIKeyNPGXJFCWAGXJJY-UHFFFAOYSA-N
XLogP2.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide;hydrochloride
CID 119943995
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
2-bromo-3-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103854604
N-(2-aminoethyl)-2-[3-(oxolan-2-ylmethoxy)propanoylamino]benzamide;hydrochloride
CID 120603852
3-bromo-2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 103993790
1-(2-fluorophenyl)-3-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]urea
CID 40881806
2-(2-methylphenyl)-N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]acetamide
CID 94421971
5-benzyl-2-hydroxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 56503491
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]-1H-indazole-4-carboxamide
CID 95625533
3,4-dimethyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000506
2-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]-2-phenylacetamide
CID 61251530
1-(2-methoxyphenyl)-3-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]urea
CID 27734061

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The IUPAC name of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide (CID 61378454) is 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide.
What is the SMILES notation for 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The canonical SMILES for 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is CNc1ccccc1C(=O)NCCCOCC1CCCO1.
What is the InChIKey of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
The InChIKey is NPGXJFCWAGXJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-17-15-8-3-2-7-14(15)16(19)18-9-5-10-20-12-13-6-4-11-21-13/h2-3,7-8,13,17H,4-6,9-12H2,1H3,(H,18,19).
What are the key properties of 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide?
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide has a molecular weight of 292.38 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide is sourced from PubChem (CID 61378454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).