N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

C20H30N2O4 — CID 166281756

IUPACN-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)NC(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H30N2O4/c1-12(24)17(22-18(25)14-5-6-14)19(26)21-16(11-23)13-7-9-15(10-8-13)20(2,3)4/h7-10,12,14,16-17,23-24H,5-6,11H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyUUHTWXCHENZJCH-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.41
Rot. Bonds7

About N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide

N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (PubChem CID 166281756) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
PubChem CID166281756
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
SMILESCC(O)C(NC(=O)C1CC1)C(=O)NC(CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H30N2O4/c1-12(24)17(22-18(25)14-5-6-14)19(26)21-16(11-23)13-7-9-15(10-8-13)20(2,3)4/h7-10,12,14,16-17,23-24H,5-6,11H2,1-4H3,(H,21,26)(H,22,25)
InChIKeyUUHTWXCHENZJCH-UHFFFAOYSA-N
XLogP1.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5,5-dimethylhexan-2-ylamino)-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015893
N-[1-[1-(3-chloro-4-fluorophenyl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110015453
3-(4-tert-butylphenyl)-3-(oxane-4-carbonylamino)propanoic acid
CID 119209982
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
N-[3-hydroxy-1-[1-(5-methylfuran-2-yl)ethylamino]-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014076
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
(3R)-3-(4-tert-butylphenyl)-3-[[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]propanoic acid
CID 99645041
4-N-[1-(4-tert-butylphenyl)-2-methylpropyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55647270
2-[(4-tert-butylcyclohexanecarbonyl)amino]-3-hydroxybutanoic acid
CID 43238721
N-[1-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014343

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide (CID 166281756) is N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is CC(O)C(NC(=O)C1CC1)C(=O)NC(CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
The InChIKey is UUHTWXCHENZJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-12(24)17(22-18(25)14-5-6-14)19(26)21-16(11-23)13-7-9-15(10-8-13)20(2,3)4/h7-10,12,14,16-17,23-24H,5-6,11H2,1-4H3,(H,21,26)(H,22,25).
What are the key properties of N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide?
N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide has a molecular weight of 362.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(4-tert-butylphenyl)-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166281756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).