4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C16H22N2O3 — CID 1292661

IUPAC4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-15(19)18-13-8-6-12(7-9-13)16(20)17-11-14-5-3-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyKVOIKXQTEJKPAY-AWEZNQCLSA-N
MW290.36 g/mol
LogP2.33
Rot. Bonds6

About 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 1292661) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID1292661
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-4-15(19)18-13-8-6-12(7-9-13)16(20)17-11-14-5-3-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)/t14-/m0/s1
InChIKeyKVOIKXQTEJKPAY-AWEZNQCLSA-N
XLogP2.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-oxo-4-[4-[[(2S)-oxolan-2-yl]methylcarbamoyl]anilino]butanoate
CID 42580218
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-[3-(4-aminophenyl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54795337
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
4-(2,2-dimethylpropanoylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 3540035
4-[[2-(3,5-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54813138
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54818429
4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836443
N-(oxolan-2-ylmethyl)-4-[[2-(4-propoxyanilino)acetyl]amino]benzamide
CID 54822674
N-[[(2R)-oxolan-2-yl]methyl]-4-(phenylcarbamoylamino)benzamide
CID 42427521

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 1292661) is 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CCCC(=O)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is KVOIKXQTEJKPAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-4-15(19)18-13-8-6-12(7-9-13)16(20)17-11-14-5-3-10-21-14/h6-9,14H,2-5,10-11H2,1H3,(H,17,20)(H,18,19)/t14-/m0/s1.
What are the key properties of 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1292661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).