N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide

C15H23N3O2 — CID 108574246

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-12-4-6-13(7-5-12)8-9-14(19)16-10-11-17-15(20)18(2)3/h4-7H,8-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyWOWMPLWZNHICLI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.32
Rot. Bonds6

About N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide

N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide (PubChem CID 108574246) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
PubChem CID108574246
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCCNC(=O)N(C)C)cc1
InChIInChI=1S/C15H23N3O2/c1-12-4-6-13(7-5-12)8-9-14(19)16-10-11-17-15(20)18(2)3/h4-7H,8-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyWOWMPLWZNHICLI-UHFFFAOYSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327
N-(4-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 106845485
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
N-(3-chlorobutyl)-3-(4-methylphenyl)propanamide
CID 114301818
N-(6-iodohexyl)-3-(4-methylphenyl)propanamide
CID 107848485
3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110310348
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-(3-cyanopropyl)-3-(4-methylphenyl)propanamide
CID 55102075

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide (CID 108574246) is N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCCNC(=O)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is WOWMPLWZNHICLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-4-6-13(7-5-12)8-9-14(19)16-10-11-17-15(20)18(2)3/h4-7H,8-11H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide?
N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 108574246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).