N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C18H26N4O2 — CID 119526971

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NCC(N)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H26N4O2/c1-12(2)14-7-9-15(10-8-14)16(19)11-20-17(23)5-4-6-18-21-13(3)22-24-18/h7-10,12,16H,4-6,11,19H2,1-3H3,(H,20,23)
InChIKeyLWTALOLMNCNCFO-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.64
Rot. Bonds8

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 119526971) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID119526971
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NCC(N)c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H26N4O2/c1-12(2)14-7-9-15(10-8-14)16(19)11-20-17(23)5-4-6-18-21-13(3)22-24-18/h7-10,12,16H,4-6,11,19H2,1-3H3,(H,20,23)
InChIKeyLWTALOLMNCNCFO-UHFFFAOYSA-N
XLogP2.64
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119526959
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-(2-amino-2-phenylethyl)-4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119528258
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
CID 119527050
N-(3-hydroxy-3-phenylpropyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 111471932
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 111112198
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55712807
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 55713099
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methoxypentanamide;hydrochloride
CID 119526500
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pent-4-enamide;dihydrochloride
CID 119526644

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 119526971) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)NCC(N)c2ccc(C(C)C)cc2)n1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is LWTALOLMNCNCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12(2)14-7-9-15(10-8-14)16(19)11-20-17(23)5-4-6-18-21-13(3)22-24-18/h7-10,12,16H,4-6,11,19H2,1-3H3,(H,20,23).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 330.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 119526971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).