N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide

C17H26ClN3O2 — CID 46486322

IUPACN-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H26ClN3O2/c1-11(2)15(13-5-7-14(18)8-6-13)21-17(23)20-10-9-19-16(22)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyOMWLJNGFNFUVBD-UHFFFAOYSA-N
MW339.87 g/mol
LogP3.11
Rot. Bonds7

About N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide

N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide (PubChem CID 46486322) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide
PubChem CID46486322
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC NameN-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCNC(=O)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C17H26ClN3O2/c1-11(2)15(13-5-7-14(18)8-6-13)21-17(23)20-10-9-19-16(22)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyOMWLJNGFNFUVBD-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 30764658
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(ethylamino)acetamide
CID 60718649
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[(3-methoxyphenyl)methyl]urea
CID 46493902
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-3-methylpentanamide
CID 43704019
3-[[1-(4-chloro-2-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122009561
2-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]-2-ethylbutanamide
CID 79810224
2-(butan-2-ylamino)-N-[1-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 60719784
1-[1-(4-chlorophenyl)-2-methylpropyl]-3-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]urea
CID 24612288
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylurea
CID 94700038
1-[1-(4-fluorophenyl)-2-methylpropyl]-3-(3-methoxypropyl)urea
CID 47139588

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide (CID 46486322) is N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide is CC(C)C(=O)NCCNC(=O)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide?
The InChIKey is OMWLJNGFNFUVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-11(2)15(13-5-7-14(18)8-6-13)21-17(23)20-10-9-19-16(22)12(3)4/h5-8,11-12,15H,9-10H2,1-4H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide?
N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide has a molecular weight of 339.87 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-chlorophenyl)-2-methylpropyl]carbamoylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 46486322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).