N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide

C24H32N2O2 — CID 119526063

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)NCC(N)c3ccc(C(C)C)cc3)CCOCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-17(2)19-6-8-20(9-7-19)22(25)16-26-23(27)24(12-14-28-15-13-24)21-10-4-18(3)5-11-21/h4-11,17,22H,12-16,25H2,1-3H3,(H,26,27)
InChIKeyBAHANRITACQSPB-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.98
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 119526063) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide
PubChem CID119526063
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCc1ccc(C2(C(=O)NCC(N)c3ccc(C(C)C)cc3)CCOCC2)cc1
InChIInChI=1S/C24H32N2O2/c1-17(2)19-6-8-20(9-7-19)22(25)16-26-23(27)24(12-14-28-15-13-24)21-10-4-18(3)5-11-21/h4-11,17,22H,12-16,25H2,1-3H3,(H,26,27)
InChIKeyBAHANRITACQSPB-UHFFFAOYSA-N
XLogP3.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 121112444
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 154578033
4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]butanoic acid
CID 119352741
1-(4-methylphenyl)-N-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 113198278
(2R)-4-methyl-2-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]pentanoic acid
CID 119363993
2-methyl-3-[4-[[4-(4-methylphenyl)oxane-4-carbonyl]amino]phenyl]propanoic acid
CID 120541500
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
4-(4-chlorophenyl)-N-(3-methyl-2-morpholin-4-ylbutyl)oxane-4-carboxamide
CID 46978034
2-[[1-(4-propan-2-ylphenyl)cyclopentanecarbonyl]amino]acetic acid
CID 119349974
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylfuran-2-carboxamide
CID 119525583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 119526933

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide (CID 119526063) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide is Cc1ccc(C2(C(=O)NCC(N)c3ccc(C(C)C)cc3)CCOCC2)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is BAHANRITACQSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)19-6-8-20(9-7-19)22(25)16-26-23(27)24(12-14-28-15-13-24)21-10-4-18(3)5-11-21/h4-11,17,22H,12-16,25H2,1-3H3,(H,26,27).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 380.53 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 119526063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).