2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide

C19H30N2O2 — CID 120790392

IUPAC2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C19H30N2O2/c1-14(13-19(2,3)16-7-5-4-6-8-16)21-18(22)17(20)15-9-11-23-12-10-15/h4-8,14-15,17H,9-13,20H2,1-3H3,(H,21,22)
InChIKeyXHQSWAWNEPDQCB-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.61
Rot. Bonds6

About 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide

2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide (PubChem CID 120790392) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
PubChem CID120790392
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide
SMILESCC(CC(C)(C)c1ccccc1)NC(=O)C(N)C1CCOCC1
InChIInChI=1S/C19H30N2O2/c1-14(13-19(2,3)16-7-5-4-6-8-16)21-18(22)17(20)15-9-11-23-12-10-15/h4-8,14-15,17H,9-13,20H2,1-3H3,(H,21,22)
InChIKeyXHQSWAWNEPDQCB-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(oxan-4-yl)-N-(4-phenylbutan-2-yl)acetamide;hydrochloride
CID 120782923
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine
CID 43778507
2-amino-2-(oxan-4-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 120791380
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120593233
2-methyl-3-(methylamino)-N-(4-methyl-4-phenylpentan-2-yl)propanamide
CID 119755787
2-amino-2-(oxan-4-yl)-N-(1-phenylpentan-2-yl)acetamide;hydrochloride
CID 120791991
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
(2S)-2-amino-N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylbutanamide;hydrochloride
CID 119307411
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-(4-cyclohexylbutan-2-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793833

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide (CID 120790392) is 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide is CC(CC(C)(C)c1ccccc1)NC(=O)C(N)C1CCOCC1.
What is the InChIKey of 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide?
The InChIKey is XHQSWAWNEPDQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(13-19(2,3)16-7-5-4-6-8-16)21-18(22)17(20)15-9-11-23-12-10-15/h4-8,14-15,17H,9-13,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide?
2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-4-phenylpentan-2-yl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120790392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).