N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide

C20H24N2O4 — CID 108542011

IUPACN-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)15-6-4-13(5-7-15)18(25)21-8-9-22-19(26)14-10-16(23)12-17(24)11-14/h4-7,10-12,23-24H,8-9H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyNMQDKWCYMJTQBK-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.56
Rot. Bonds5

About N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide

N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide (PubChem CID 108542011) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
PubChem CID108542011
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)cc1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)15-6-4-13(5-7-15)18(25)21-8-9-22-19(26)14-10-16(23)12-17(24)11-14/h4-7,10-12,23-24H,8-9H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyNMQDKWCYMJTQBK-UHFFFAOYSA-N
XLogP2.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]-3,5-dihydroxybenzamide
CID 108543039
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
N-(4-tert-butylphenyl)-3,5-dihydroxybenzamide
CID 103891366
4-tert-butyl-N-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]benzamide
CID 108542009
N-[2-[(3,5-dihydroxybenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540173
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
N-butyl-3,5-dihydroxybenzamide
CID 91715801
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
4-tert-butyl-N-nonylbenzamide
CID 4642451
3,5-dihydroxy-N-[2-[(2-hydroxybenzoyl)amino]ethyl]benzamide
CID 108540088
4-tert-butyl-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577854

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide (CID 108542011) is N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide is CC(C)(C)c1ccc(C(=O)NCCNC(=O)c2cc(O)cc(O)c2)cc1.
What is the InChIKey of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
The InChIKey is NMQDKWCYMJTQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)15-6-4-13(5-7-15)18(25)21-8-9-22-19(26)14-10-16(23)12-17(24)11-14/h4-7,10-12,23-24H,8-9H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide?
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide has a molecular weight of 356.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 108542011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).