ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate

C16H23NO4 — CID 10402138

IUPACethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate
SMILESCCOC(=O)C(CC(C)C)C(=O)NOCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)14(10-12(2)3)15(18)17-21-11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyVVZWMFFMPAQBJA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.46
Rot. Bonds8

About ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate

ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate (PubChem CID 10402138) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate
PubChem CID10402138
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nameethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate
SMILESCCOC(=O)C(CC(C)C)C(=O)NOCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-4-20-16(19)14(10-12(2)3)15(18)17-21-11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyVVZWMFFMPAQBJA-UHFFFAOYSA-N
XLogP2.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate 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

ethyl 2-benzyl-3-oxo-3-(phenylmethoxyamino)propanoate
CID 57483942
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
CID 10717280
2-(phenylmethoxycarbamoyl)heptanoic acid
CID 87592184
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
ethyl (2S)-2-(phenylmethoxyamino)propanoate
CID 100999718
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
N-[2-(benzylcarbamoyl)phenyl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
CID 10672155
diethyl 2-(2-methyl-3-phenylpropyl)propanedioate
CID 174407288
3-O-benzyl 1-O-ethyl 2-ethylpropanedioate
CID 57182542

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate?
The IUPAC name of ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate (CID 10402138) is ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate?
The canonical SMILES for ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate is CCOC(=O)C(CC(C)C)C(=O)NOCc1ccccc1.
What is the InChIKey of ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate?
The InChIKey is VVZWMFFMPAQBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-20-16(19)14(10-12(2)3)15(18)17-21-11-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,17,18).
What are the key properties of ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate?
ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate has a molecular weight of 293.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate is sourced from PubChem (CID 10402138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).