[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate

C19H26N2O4 — CID 55936242

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-14(21-18(23)16-10-6-3-7-11-16)19(24)25-13-17(22)20-12-15-8-4-2-5-9-15/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyHIJDPJPHUZLNQG-AWEZNQCLSA-N
MW346.43 g/mol
LogP2.04
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate

[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate (PubChem CID 55936242) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
PubChem CID55936242
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C19H26N2O4/c1-14(21-18(23)16-10-6-3-7-11-16)19(24)25-13-17(22)20-12-15-8-4-2-5-9-15/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1
InChIKeyHIJDPJPHUZLNQG-AWEZNQCLSA-N
XLogP2.04
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 55925687
N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 30785525
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880198
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
CID 55319435
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 55326556
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882183
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 55305816
[2-(4-carbamoylanilino)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2594012

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate (CID 55936242) is [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The InChIKey is HIJDPJPHUZLNQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14(21-18(23)16-10-6-3-7-11-16)19(24)25-13-17(22)20-12-15-8-4-2-5-9-15/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,20,22)(H,21,23)/t14-/m0/s1.
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate?
[2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate has a molecular weight of 346.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate is sourced from PubChem (CID 55936242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).