3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide

C16H20N2O3 — CID 17202280

IUPAC3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H20N2O3/c19-15(17-10-14-5-2-8-21-14)12-3-1-4-13(9-12)18-16(20)11-6-7-11/h1,3-4,9,11,14H,2,5-8,10H2,(H,17,19)(H,18,20)
InChIKeySRFXVQVJQFLBHF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.94
Rot. Bonds5

About 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide

3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 17202280) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID17202280
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCO1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C16H20N2O3/c19-15(17-10-14-5-2-8-21-14)12-3-1-4-13(9-12)18-16(20)11-6-7-11/h1,3-4,9,11,14H,2,5-8,10H2,(H,17,19)(H,18,20)
InChIKeySRFXVQVJQFLBHF-UHFFFAOYSA-N
XLogP1.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690
N-[3-(oxolan-2-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 82834678
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
3-[[2-(methylamino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54820604
N-[[(2S)-oxolan-2-yl]methyl]-3-[(4-phenylbenzoyl)amino]benzamide
CID 42579530
3-(benzoylcarbamothioylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42427579
N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787348
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-[3-[2-oxo-2-(oxolan-2-ylmethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 46410900
methyl 4-oxo-4-[3-(oxolan-2-ylmethylcarbamoyl)anilino]butanoate
CID 17202291
N-(oxolan-2-ylmethyl)-3-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17202413
2,4-dichloro-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202248

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide (CID 17202280) is 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide is O=C(NCC1CCCO1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SRFXVQVJQFLBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-15(17-10-14-5-2-8-21-14)12-3-1-4-13(9-12)18-16(20)11-6-7-11/h1,3-4,9,11,14H,2,5-8,10H2,(H,17,19)(H,18,20).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide?
3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 288.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 17202280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).