2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate

C18H25N3O4 — CID 151331273

IUPAC2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate
SMILESCC(=O)OCCN(N)C(=O)Nc1ccccc1C(=O)C1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-13(22)25-12-11-21(19)18(24)20-16-10-6-5-9-15(16)17(23)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12,19H2,1H3,(H,20,24)
InChIKeyOIMXUONYWBWEKA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.72
Rot. Bonds6

About 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate

2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate (PubChem CID 151331273) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate.

Molecular Properties

Compound Name2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate
PubChem CID151331273
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate
SMILESCC(=O)OCCN(N)C(=O)Nc1ccccc1C(=O)C1CCCCC1
InChIInChI=1S/C18H25N3O4/c1-13(22)25-12-11-21(19)18(24)20-16-10-6-5-9-15(16)17(23)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12,19H2,1H3,(H,20,24)
InChIKeyOIMXUONYWBWEKA-UHFFFAOYSA-N
XLogP2.72
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate 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

N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050
N-[2-(cyclohexanecarbonyl)phenyl]methanesulfonamide
CID 14771346
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
N-[2-(cyclopentanecarbonyl)phenyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95981194
2-[2-[[4-chloro-2-(cyclopentanecarbonyl)phenyl]carbamoylamino]-1,3-thiazol-4-yl]ethyl acetate
CID 150565599
cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
N-[2-(cyclohexanecarbonyl)-4-hydroxyphenyl]acetamide
CID 67874762
propyl 2-(cyclohexylcarbamoylamino)benzoate
CID 122389649
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
2-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 39233266
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
ethyl 2-(cycloheptylcarbamoylamino)benzoate
CID 108990696

Frequently Asked Questions

What is the IUPAC name of 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate?
The IUPAC name of 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate (CID 151331273) is 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate.
What is the SMILES notation for 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate?
The canonical SMILES for 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate is CC(=O)OCCN(N)C(=O)Nc1ccccc1C(=O)C1CCCCC1.
What is the InChIKey of 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate?
The InChIKey is OIMXUONYWBWEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(22)25-12-11-21(19)18(24)20-16-10-6-5-9-15(16)17(23)14-7-3-2-4-8-14/h5-6,9-10,14H,2-4,7-8,11-12,19H2,1H3,(H,20,24).
What are the key properties of 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate?
2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate has a molecular weight of 347.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-[[2-(cyclohexanecarbonyl)phenyl]carbamoyl]amino]ethyl acetate is sourced from PubChem (CID 151331273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).