N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide

C17H25N3O2 — CID 119755530

IUPACN-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(21)20-16-7-5-13(6-8-16)9-10-19-17(22)14-3-2-4-15(18)11-14/h5-8,14-15H,2-4,9-11,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyUCCRMFUIWFFLBW-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide

N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide (PubChem CID 119755530) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
PubChem CID119755530
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide
SMILESCC(=O)Nc1ccc(CCNC(=O)C2CCCC(N)C2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(21)20-16-7-5-13(6-8-16)9-10-19-17(22)14-3-2-4-15(18)11-14/h5-8,14-15H,2-4,9-11,18H2,1H3,(H,19,22)(H,20,21)
InChIKeyUCCRMFUIWFFLBW-UHFFFAOYSA-N
XLogP1.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119673157
methyl 4-[2-[(3-aminocyclohexanecarbonyl)amino]ethyl]benzoate;hydrochloride
CID 119701390
4-[2-(4-acetamidophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673195
3-amino-N-[2-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 119760925
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
3-amino-N-[4-[(dimethylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 63041991
3-amino-N-[2-(3-bromo-4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 119742372
3-amino-N-[2-(3,5-dichlorophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119752653
3-amino-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclohexane-1-carboxamide
CID 63043789
3-amino-N-[4-[(carbamoylamino)methyl]phenyl]cyclohexane-1-carboxamide
CID 119757601
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
2-[4-[(3-aminocyclohexanecarbonyl)amino]phenyl]acetic acid
CID 63045402

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide (CID 119755530) is N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide is CC(=O)Nc1ccc(CCNC(=O)C2CCCC(N)C2)cc1.
What is the InChIKey of N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide?
The InChIKey is UCCRMFUIWFFLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(21)20-16-7-5-13(6-8-16)9-10-19-17(22)14-3-2-4-15(18)11-14/h5-8,14-15H,2-4,9-11,18H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide?
N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidophenyl)ethyl]-3-aminocyclohexane-1-carboxamide is sourced from PubChem (CID 119755530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).