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

C23H30N4O3 — CID 121063298

IUPACN-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O3/c1-5-20(28)26-18-10-6-16(7-11-18)21(29)24-14-15-25-22(30)27-19-12-8-17(9-13-19)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,29)(H,26,28)(H2,25,27,30)
InChIKeyYUIQVYNXBMJXGW-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.88
Rot. Bonds7

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

N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide (PubChem CID 121063298) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
PubChem CID121063298
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H30N4O3/c1-5-20(28)26-18-10-6-16(7-11-18)21(29)24-14-15-25-22(30)27-19-12-8-17(9-13-19)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,29)(H,26,28)(H2,25,27,30)
InChIKeyYUIQVYNXBMJXGW-UHFFFAOYSA-N
XLogP3.88
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.88
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

N-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063265
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-[2-[(2-methylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121063287
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(cyclopentanecarbonylamino)benzamide
CID 121063342
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
1-(propanoylamino)-4-[2-(sulfinatoamino)ethylcarbamoyl]benzene
CID 118426421
N-(3-hydroxy-2,2-dimethylpropyl)-4-(propanoylamino)benzamide
CID 110178584
methyl 2-[[4-(propanoylamino)benzoyl]amino]acetate
CID 2985304
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
4-(2,2-dimethylpropanoylamino)-N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 121063356

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide (CID 121063298) is N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCCNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
The InChIKey is YUIQVYNXBMJXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-5-20(28)26-18-10-6-16(7-11-18)21(29)24-14-15-25-22(30)27-19-12-8-17(9-13-19)23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,29)(H,26,28)(H2,25,27,30).
What are the key properties of N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide?
N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide has a molecular weight of 410.52 g/mol, XLogP of 3.88, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)carbamoylamino]ethyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 121063298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).