N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride

C18H28ClN3O2 — CID 120569096

IUPACN-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)C(C)NC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12-8-9-15(19)11-16(12)21-18(23)13(2)20-17(22)10-14-6-4-3-5-7-14;/h8-9,11,13-14H,3-7,10,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyCRUWDBUOZBHNNX-UHFFFAOYSA-N
MW353.89 g/mol
LogP3.41
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride

N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride (PubChem CID 120569096) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
PubChem CID120569096
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)C(C)NC(=O)CC1CCCCC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12-8-9-15(19)11-16(12)21-18(23)13(2)20-17(22)10-14-6-4-3-5-7-14;/h8-9,11,13-14H,3-7,10,19H2,1-2H3,(H,20,22)(H,21,23);1H
InChIKeyCRUWDBUOZBHNNX-UHFFFAOYSA-N
XLogP3.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-3-cyclohexyl-2-methylpropanamide
CID 120569231
N-(5-amino-2-methylphenyl)-3-cyclohexylbutanamide;hydrochloride
CID 120569234
N-(5-amino-2-methylphenyl)-2-(cyclopentylmethylsulfinyl)propanamide
CID 63119626
N-(5-amino-2-methylphenyl)-2-cyclohexylsulfinylpropanamide
CID 61288866
3-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-4-propan-2-yloxybenzoic acid
CID 119196283
N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 50875684
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
3-[2-[(2-cyclohexylacetyl)amino]propanoylamino]benzoic acid
CID 119219531
N-(5-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 43548756
N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
N-(5-amino-2-methylphenyl)-3-(cyclopentylmethoxy)propanamide
CID 66322376
2-[(2-cyclohexylacetyl)amino]-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide;hydrochloride
CID 120880965

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride (CID 120569096) is N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)C(C)NC(=O)CC1CCCCC1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
The InChIKey is CRUWDBUOZBHNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-12-8-9-15(19)11-16(12)21-18(23)13(2)20-17(22)10-14-6-4-3-5-7-14;/h8-9,11,13-14H,3-7,10,19H2,1-2H3,(H,20,22)(H,21,23);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride is sourced from PubChem (CID 120569096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).