N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide

C16H23N3O2 — CID 60965779

IUPACN-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCNC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-2-4-13(5-3-12)16(21)19-11-10-18-15(20)8-9-17-14-6-7-14/h2-5,14,17H,6-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyUATFYEVAMPJNNE-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.98
Rot. Bonds8

About N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide

N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide (PubChem CID 60965779) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
PubChem CID60965779
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CCNC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-12-2-4-13(5-3-12)16(21)19-11-10-18-15(20)8-9-17-14-6-7-14/h2-5,14,17H,6-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyUATFYEVAMPJNNE-UHFFFAOYSA-N
XLogP0.98
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropylamino)ethyl]-4-methylbenzamide
CID 62662954
4-methyl-N-[2-[(4-methylcyclohexyl)amino]ethyl]benzamide
CID 60965036
N-[2-(cyclopropylamino)ethyl]-2-(4-methylphenyl)acetamide
CID 55100633
N-[2-[(3,5-dimethylcyclohexyl)amino]ethyl]-4-methylbenzamide
CID 64751228
N-[2-[(3-aminocyclobutyl)amino]ethyl]-4-methylbenzamide
CID 80560795
N-[2-(4-aminobutanoylamino)ethyl]-4-methylbenzamide
CID 54880623
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039
N-[2-(5-chloropentanoylamino)ethyl]-4-methylbenzamide
CID 60966598
N-[2-[(2-aminoacetyl)amino]ethyl]-4-methylbenzamide
CID 54880610
4-methyl-N-[2-(3-oxobutanoylamino)ethyl]benzamide
CID 54880636
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
N-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]ethyl]-4-methylbenzamide
CID 106658655

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide (CID 60965779) is N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCNC(=O)CCNC2CC2)cc1.
What is the InChIKey of N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide?
The InChIKey is UATFYEVAMPJNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-2-4-13(5-3-12)16(21)19-11-10-18-15(20)8-9-17-14-6-7-14/h2-5,14,17H,6-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide?
N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide has a molecular weight of 289.38 g/mol, XLogP of 0.98, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(cyclopropylamino)propanoylamino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 60965779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).