N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide

C20H24N4O3 — CID 121063287

IUPACN-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H24N4O3/c1-3-18(25)23-16-10-8-15(9-11-16)19(26)21-12-13-22-20(27)24-17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeyJFBNXPURAPUJTO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.90
Rot. Bonds7

About N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide

N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide (PubChem CID 121063287) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
PubChem CID121063287
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C20H24N4O3/c1-3-18(25)23-16-10-8-15(9-11-16)19(26)21-12-13-22-20(27)24-17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27)
InChIKeyJFBNXPURAPUJTO-UHFFFAOYSA-N
XLogP2.90
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentanecarbonylamino)-N-[2-[(2-methylphenyl)carbamoylamino]ethyl]benzamide
CID 121063331
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063298
N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062388
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
4-(2-ethylbutanoylamino)-N-(2-methylphenyl)benzamide
CID 17309184

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide (CID 121063287) is N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The InChIKey is JFBNXPURAPUJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-3-18(25)23-16-10-8-15(9-11-16)19(26)21-12-13-22-20(27)24-17-7-5-4-6-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,27).
What are the key properties of N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 121063287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).