methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate

C20H33N5O2 — CID 155029541

IUPACmethyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate
SMILESCCCCC(CC)CNC(=O)Nc1cc(/N=C(OC)/C(N)=N/C)ccc1C
InChIInChI=1S/C20H33N5O2/c1-6-8-9-15(7-2)13-23-20(26)25-17-12-16(11-10-14(17)3)24-19(27-5)18(21)22-4/h10-12,15H,6-9,13H2,1-5H3,(H2,21,22)(H2,23,25,26)/b24-19-
InChIKeyOHUOUAHOZJCXCQ-CLCOLTQESA-N
MW375.52 g/mol
LogP4.00
Rot. Bonds8

About methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate

methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate (PubChem CID 155029541) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate.

Molecular Properties

Compound Namemethyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate
PubChem CID155029541
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Namemethyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate
SMILESCCCCC(CC)CNC(=O)Nc1cc(/N=C(OC)/C(N)=N/C)ccc1C
InChIInChI=1S/C20H33N5O2/c1-6-8-9-15(7-2)13-23-20(26)25-17-12-16(11-10-14(17)3)24-19(27-5)18(21)22-4/h10-12,15H,6-9,13H2,1-5H3,(H2,21,22)(H2,23,25,26)/b24-19-
InChIKeyOHUOUAHOZJCXCQ-CLCOLTQESA-N
XLogP4.00
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate 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

1-[(2R)-2-ethylhexyl]-3-[3-[[(2R)-2-ethylhexyl]carbamoylamino]-4-methylphenyl]urea
CID 101499424
[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl] cyanate
CID 154593824
ethyl 3-[[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]carbamoylamino]butanoate
CID 58918485
1-(2-ethylhex-5-enyl)-3-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]urea
CID 102416260
1-(2,3-dimethylphenyl)-3-(2-ethylhexyl)urea
CID 129089188
1-(2,5-dimethoxyphenyl)-3-(2-ethylhexyl)urea
CID 75864935
1-tert-butyl-3-[3-(2-ethylhexylcarbamoylamino)-2-methylphenyl]urea
CID 58918481
2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
CID 19167363
N-(5-chloro-2-methylphenyl)-2-(2-ethylhexylamino)acetamide
CID 103601419
1-[3-(2-ethylhexoxy)propyl]-3-[2-methyl-5-(prop-1-en-2-ylcarbamoylamino)phenyl]urea
CID 89220522
N-(5-amino-2-methylphenyl)-3-ethylheptanamide;hydrochloride
CID 120568529
(2S)-2-amino-N-(2,5-dimethylphenyl)hexanamide
CID 103830807

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate?
The IUPAC name of methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate (CID 155029541) is methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate.
What is the SMILES notation for methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate?
The canonical SMILES for methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate is CCCCC(CC)CNC(=O)Nc1cc(/N=C(OC)/C(N)=N/C)ccc1C.
What is the InChIKey of methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate?
The InChIKey is OHUOUAHOZJCXCQ-CLCOLTQESA-N. The full InChI is InChI=1S/C20H33N5O2/c1-6-8-9-15(7-2)13-23-20(26)25-17-12-16(11-10-14(17)3)24-19(27-5)18(21)22-4/h10-12,15H,6-9,13H2,1-5H3,(H2,21,22)(H2,23,25,26)/b24-19-.
What are the key properties of methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate?
methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate has a molecular weight of 375.52 g/mol, XLogP of 4.00, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-N-[3-(2-ethylhexylcarbamoylamino)-4-methylphenyl]-2-methyliminoethanimidate is sourced from PubChem (CID 155029541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).