methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate

C18H25NO3 — CID 139261982

IUPACmethyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate
SMILESCOC(=O)/C(=C/C1CCCCC1)CNOCc1ccccc1
InChIInChI=1S/C18H25NO3/c1-21-18(20)17(12-15-8-4-2-5-9-15)13-19-22-14-16-10-6-3-7-11-16/h3,6-7,10-12,15,19H,2,4-5,8-9,13-14H2,1H3/b17-12+
InChIKeyMANMOMTUSIKICQ-SFQUDFHCSA-N
MW303.40 g/mol
LogP3.39
Rot. Bonds7

About methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate

methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate (PubChem CID 139261982) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate
PubChem CID139261982
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Namemethyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate
SMILESCOC(=O)/C(=C/C1CCCCC1)CNOCc1ccccc1
InChIInChI=1S/C18H25NO3/c1-21-18(20)17(12-15-8-4-2-5-9-15)13-19-22-14-16-10-6-3-7-11-16/h3,6-7,10-12,15,19H,2,4-5,8-9,13-14H2,1H3/b17-12+
InChIKeyMANMOMTUSIKICQ-SFQUDFHCSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate 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

methyl (Z)-3-(4-fluorophenyl)-2-[(phenylmethoxyamino)methyl]prop-2-enoate
CID 46873036
4-O-benzyl 1-O-methyl (2E)-2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methylidene]butanedioate
CID 58351860
N-cyclopropyl-N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974289
benzyl carbamate;cyclohexanecarbaldehyde
CID 142103337
(E)-2-[[benzyl(ethoxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
CID 67805004
methyl (2R,3R)-2-cyclohexyl-3-(phenylmethoxymethyl)aziridine-1-carboxylate
CID 102080852
N-ethyl-2-(phenylmethoxyamino)acetamide
CID 64974421
benzyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 70554494
methyl (Z)-3-(3,4-difluorocyclopentyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate
CID 140541376
3-O-benzyl 1-O-methyl 2,2-dicyclohexylpropanedioate
CID 175180069
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
N-ethyl-N-methyl-2-(phenylmethoxyamino)acetamide
CID 64974385

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate (CID 139261982) is methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate is COC(=O)/C(=C/C1CCCCC1)CNOCc1ccccc1.
What is the InChIKey of methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate?
The InChIKey is MANMOMTUSIKICQ-SFQUDFHCSA-N. The full InChI is InChI=1S/C18H25NO3/c1-21-18(20)17(12-15-8-4-2-5-9-15)13-19-22-14-16-10-6-3-7-11-16/h3,6-7,10-12,15,19H,2,4-5,8-9,13-14H2,1H3/b17-12+.
What are the key properties of methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate?
methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate has a molecular weight of 303.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-cyclohexyl-2-[(phenylmethoxyamino)methyl]prop-2-enoate is sourced from PubChem (CID 139261982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).