N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide

C21H33N3O3 — CID 31031780

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)CCCNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)15-11-12-18(25)17(14-15)24-19(26)10-7-13-22-20(27)23-16-8-5-4-6-9-16/h11-12,14,16,25H,4-10,13H2,1-3H3,(H,24,26)(H2,22,23,27)
InChIKeyVTQQPZJYMLJFGY-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.04
Rot. Bonds6

About N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide

N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide (PubChem CID 31031780) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
PubChem CID31031780
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)CCCNC(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H33N3O3/c1-21(2,3)15-11-12-18(25)17(14-15)24-19(26)10-7-13-22-20(27)23-16-8-5-4-6-9-16/h11-12,14,16,25H,4-10,13H2,1-3H3,(H,24,26)(H2,22,23,27)
InChIKeyVTQQPZJYMLJFGY-UHFFFAOYSA-N
XLogP4.04
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
4-(cyclohexylcarbamoylamino)-N-(6-methyl-2-pyridinyl)butanamide
CID 18146705
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-cycloheptylurea
CID 108882155
N-(5-amino-2-methylphenyl)-6-(cyclohexylcarbamoylamino)hexanamide;hydrochloride
CID 120568203
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
2-[6-(cyclohexylcarbamoylamino)hexanoylamino]-N,6-dimethylbenzamide
CID 86955767
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
3-[6-(cyclohexylcarbamoylamino)hexanoylamino]benzoic acid
CID 119219607
1-cyclohexyl-3-[4-[2-[2-(4-methylanilino)acetyl]hydrazinyl]-4-oxobutyl]urea
CID 55513953
1-[3-(4-tert-butylphenoxy)propyl]-3-cyclopropylurea
CID 108882913
2-[4-(cyclohexylcarbamoylamino)butanoylamino]-2-phenylacetic acid
CID 119113414
4-(cyclohexylcarbamoylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 86921824

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide (CID 31031780) is N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide is CC(C)(C)c1ccc(O)c(NC(=O)CCCNC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide?
The InChIKey is VTQQPZJYMLJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-21(2,3)15-11-12-18(25)17(14-15)24-19(26)10-7-13-22-20(27)23-16-8-5-4-6-9-16/h11-12,14,16,25H,4-10,13H2,1-3H3,(H,24,26)(H2,22,23,27).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide?
N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide has a molecular weight of 375.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-4-(cyclohexylcarbamoylamino)butanamide is sourced from PubChem (CID 31031780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).